diff --git a/regtest/basic/rt-mpi10/Makefile b/regtest/basic/rt-mpi10/Makefile
new file mode 100644
index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee
--- /dev/null
+++ b/regtest/basic/rt-mpi10/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt-mpi10/col1.0.reference b/regtest/basic/rt-mpi10/col1.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..95659f6956fbce31664dc73fd3e397f3fa83dda7
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col1.0.reference
@@ -0,0 +1,11 @@
+#! FIELDS time c
+ 0.150000 15.119
+ 0.200000 15.094
+ 0.250000 15.352
+ 0.300000 15.714
+ 0.350000 15.764
+ 0.400000 15.119
+ 0.450000 15.094
+ 0.500000 15.352
+ 0.550000 15.714
+ 0.600000 15.764
diff --git a/regtest/basic/rt-mpi10/col1.1.reference b/regtest/basic/rt-mpi10/col1.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..500fa9075dc7fb23120f719dce67e8371fad9849
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col1.1.reference
@@ -0,0 +1,11 @@
+#! FIELDS time c
+ 0.150000 15.764
+ 0.200000 15.714
+ 0.250000 15.352
+ 0.300000 15.094
+ 0.350000 15.119
+ 0.400000 15.764
+ 0.450000 15.714
+ 0.500000 15.352
+ 0.550000 15.094
+ 0.600000 15.119
diff --git a/regtest/basic/rt-mpi10/col1.2.reference b/regtest/basic/rt-mpi10/col1.2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..dff367e0f5d6be9169c3820411560ecf572115d8
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col1.2.reference
@@ -0,0 +1,11 @@
+#! FIELDS time c
+ 0.150000 15.094
+ 0.200000 15.352
+ 0.250000 15.119
+ 0.300000 15.764
+ 0.350000 15.714
+ 0.400000 15.094
+ 0.450000 15.352
+ 0.500000 15.119
+ 0.550000 15.764
+ 0.600000 15.714
diff --git a/regtest/basic/rt-mpi10/col2.0.reference b/regtest/basic/rt-mpi10/col2.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..c8865d6dd4f43a98803fd7f2000f80aa48f810c7
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col2.0.reference
@@ -0,0 +1,6 @@
+#! FIELDS time cexp
+ 0.200000  0.000
+ 0.300000  0.000
+ 0.400000  0.000
+ 0.500000  0.000
+ 0.600000  0.000
diff --git a/regtest/basic/rt-mpi10/col2.1.reference b/regtest/basic/rt-mpi10/col2.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..c8865d6dd4f43a98803fd7f2000f80aa48f810c7
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col2.1.reference
@@ -0,0 +1,6 @@
+#! FIELDS time cexp
+ 0.200000  0.000
+ 0.300000  0.000
+ 0.400000  0.000
+ 0.500000  0.000
+ 0.600000  0.000
diff --git a/regtest/basic/rt-mpi10/col2.2.reference b/regtest/basic/rt-mpi10/col2.2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..c8865d6dd4f43a98803fd7f2000f80aa48f810c7
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col2.2.reference
@@ -0,0 +1,6 @@
+#! FIELDS time cexp
+ 0.200000  0.000
+ 0.300000  0.000
+ 0.400000  0.000
+ 0.500000  0.000
+ 0.600000  0.000
diff --git a/regtest/basic/rt-mpi10/col3.0.reference b/regtest/basic/rt-mpi10/col3.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..e7f5dd67302c3d8d9ccd01597c52a467da40c27f
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col3.0.reference
@@ -0,0 +1,5 @@
+#! FIELDS time cgaus dist dip dip2
+ 0.150000  0.000  2.001 13.597 30.718
+ 0.300000  0.000  1.991 14.785 30.472
+ 0.450000  0.000  1.984 13.952 30.612
+ 0.600000  0.000  1.985 14.926 30.477
diff --git a/regtest/basic/rt-mpi10/col3.1.reference b/regtest/basic/rt-mpi10/col3.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..32d8dc3d77ba8f259238646ebab7c26271b07975
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col3.1.reference
@@ -0,0 +1,5 @@
+#! FIELDS time cgaus dist dip dip2
+ 0.150000  0.000  1.985 14.926 30.477
+ 0.300000  0.000  1.984 13.952 30.612
+ 0.450000  0.000  1.991 14.785 30.472
+ 0.600000  0.000  2.001 13.597 30.718
diff --git a/regtest/basic/rt-mpi10/col3.2.reference b/regtest/basic/rt-mpi10/col3.2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..de42320b26b5febb446c7ef4937310ab152ef304
--- /dev/null
+++ b/regtest/basic/rt-mpi10/col3.2.reference
@@ -0,0 +1,5 @@
+#! FIELDS time cgaus dist dip dip2
+ 0.150000  0.000  1.984 13.952 30.612
+ 0.300000  0.000  1.985 14.926 30.477
+ 0.450000  0.000  1.987 14.420 30.506
+ 0.600000  0.000  1.991 14.785 30.472
diff --git a/regtest/basic/rt-mpi10/config b/regtest/basic/rt-mpi10/config
new file mode 100644
index 0000000000000000000000000000000000000000..76dfdc6b12170bc00eed88bf29596f0fcf4d5e69
--- /dev/null
+++ b/regtest/basic/rt-mpi10/config
@@ -0,0 +1,3 @@
+mpiprocs=6
+type=driver
+arg="--plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 --debug-dd --debug-grex 6 --debug-grex-log log.grex --initial-step 3"
diff --git a/regtest/basic/rt-mpi10/ff.0.reference b/regtest/basic/rt-mpi10/ff.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..d20472ed0a68672abd0ae33c6820e889e409c98c
--- /dev/null
+++ b/regtest/basic/rt-mpi10/ff.0.reference
@@ -0,0 +1,1100 @@
+108
+-17.240579 -13.597619 -11.922011
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+-13.246430 -10.748795 -9.439052
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new file mode 100644
index 0000000000000000000000000000000000000000..d20472ed0a68672abd0ae33c6820e889e409c98c
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diff --git a/regtest/basic/rt-mpi10/ff.2.reference b/regtest/basic/rt-mpi10/ff.2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..1aedee7474df5ca3a2979827fce5243c1a984fda
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new file mode 100644
index 0000000000000000000000000000000000000000..1aedee7474df5ca3a2979827fce5243c1a984fda
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new file mode 100644
index 0000000000000000000000000000000000000000..867a104d1f8ced9d37435dd17810017aec5ab32a
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new file mode 100644
index 0000000000000000000000000000000000000000..867a104d1f8ced9d37435dd17810017aec5ab32a
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+X 0.000000 0.000000 0.000000
+X 0.000000 0.000000 0.000000
+X 0.000000 0.000000 0.000000
diff --git a/regtest/basic/rt-mpi10/log.grex.0.reference b/regtest/basic/rt-mpi10/log.grex.0.reference
new file mode 100644
index 0000000000000000000000000000000000000000..a4d313359abca6fb14d1409f81210a45492836c9
--- /dev/null
+++ b/regtest/basic/rt-mpi10/log.grex.0.reference
@@ -0,0 +1,2 @@
+ -1.251100 1.251100 0.000000
+ 0.000000 1.237864 -1.237864
diff --git a/regtest/basic/rt-mpi10/log.grex.1.reference b/regtest/basic/rt-mpi10/log.grex.1.reference
new file mode 100644
index 0000000000000000000000000000000000000000..a4d313359abca6fb14d1409f81210a45492836c9
--- /dev/null
+++ b/regtest/basic/rt-mpi10/log.grex.1.reference
@@ -0,0 +1,2 @@
+ -1.251100 1.251100 0.000000
+ 0.000000 1.237864 -1.237864
diff --git a/regtest/basic/rt-mpi10/log.grex.2.reference b/regtest/basic/rt-mpi10/log.grex.2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..a4d313359abca6fb14d1409f81210a45492836c9
--- /dev/null
+++ b/regtest/basic/rt-mpi10/log.grex.2.reference
@@ -0,0 +1,2 @@
+ -1.251100 1.251100 0.000000
+ 0.000000 1.237864 -1.237864
diff --git a/regtest/basic/rt-mpi10/plumed.dat b/regtest/basic/rt-mpi10/plumed.dat
new file mode 100644
index 0000000000000000000000000000000000000000..4673a0cb129a679c16fcfc30417c614bd85c9d87
--- /dev/null
+++ b/regtest/basic/rt-mpi10/plumed.dat
@@ -0,0 +1,38 @@
+g1: GROUP ATOMS=1-10
+g2: GROUP ATOMS=30-40,5
+c1: COM   ATOMS=g1
+c2: COM   ATOMS=g2 NOPBC
+
+c:    COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={RATIONAL R_0=1.0}
+cexp: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={EXP R_0=0.7} NLIST NL_CUTOFF=0.9 NL_STRIDE=3
+cgaus: COORDINATION GROUPA=g1 GROUPB=g2,50-100 SWITCH={GAUSSIAN R_0=0.2 D_0=0.6} NLIST NL_CUTOFF=0.7 NL_STRIDE=2
+
+dist: DISTANCE ATOMS=c1,c2
+dip:  DIPOLE   GROUP=1-10
+dip2:  DIPOLE   GROUP=1,108
+
+xxx: DISTANCE ATOMS=1,2
+
+RESTRAINT ARG=c AT=15 KAPPA=5.0
+
+PRINT ...
+  STRIDE=1
+  ARG=c
+  FILE=col1 FMT=%6.3f
+... PRINT
+
+PRINT ...
+  STRIDE=2
+  ARG=cexp
+  FILE=col2 FMT=%6.3f
+... PRINT
+
+PRINT ...
+  STRIDE=3
+  ARG=cgaus,dist,dip,dip2
+  FILE=col3 FMT=%6.3f
+... PRINT
+
+
+ENDPLUMED
+
diff --git a/regtest/basic/rt-mpi10/test.pdb b/regtest/basic/rt-mpi10/test.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..32c805761fdf9285aa92786672bdf49d6e2bc632
--- /dev/null
+++ b/regtest/basic/rt-mpi10/test.pdb
@@ -0,0 +1,108 @@
+ATOM      1  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM      2  Ar                  0.000   0.000   0.000  2.00  0.00
+ATOM      3  Ar                  0.000   0.000   0.000  3.00  1.00
+ATOM      4  Ar                  0.000   0.000   0.000  2.00  0.00
+ATOM      5  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM      6  Ar                  0.000   0.000   0.000  2.00  0.00
+ATOM      7  Ar                  0.000   0.000   0.000  3.00  1.00
+ATOM      8  Ar                  0.000   0.000   0.000  2.00  0.00
+ATOM      9  Ar                  0.000   0.000   0.000  1.00 10.00
+ATOM     10  Ar                  0.000   0.000   0.000  2.00  0.00
+ATOM     11  Ar                  0.000   0.000   0.000  3.00 20.00
+ATOM     12  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     13  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     14  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     15  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     16  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     17  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     18  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     19  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     20  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     21  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     22  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     23  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     24  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     25  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     26  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     27  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     28  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     29  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     30  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     31  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     32  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     33  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     34  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     35  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     36  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     37  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     38  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     39  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     40  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     41  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     42  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     43  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     44  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     45  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     46  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     47  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     48  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     49  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     50  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     51  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     52  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     53  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     54  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     55  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     56  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     57  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     58  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     59  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     60  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     61  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     62  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     63  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     64  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     65  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     66  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     67  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     68  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     69  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     70  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     71  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     72  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     73  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     74  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     75  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     76  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     77  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     78  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     79  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     80  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     81  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     82  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     83  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     84  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     85  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     86  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     87  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     88  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     89  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     90  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     91  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     92  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     93  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     94  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     95  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     96  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     97  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     98  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM     99  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    100  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    101  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    102  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    103  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    104  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    105  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    106  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    107  Ar                  0.000   0.000   0.000  1.00  1.00
+ATOM    108  Ar                  0.000   0.000   0.000  1.00 10.00
diff --git a/regtest/basic/rt-mpi10/trajectory.0.xyz b/regtest/basic/rt-mpi10/trajectory.0.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..e9766a03312bd6580f19bf1a8e6242940a4cc7bf
--- /dev/null
+++ b/regtest/basic/rt-mpi10/trajectory.0.xyz
@@ -0,0 +1,1100 @@
+         108
+   5.03880000000000        5.03880000000000        5.03880000000000     
+ Ar -3.442612640030015E-002 -3.038146094065802E-003  8.961853877526049E-003
+ Ar  0.912465016333831      -1.524861115033656E-002  0.844060122693179     
+ Ar  0.832342813262219       0.848949986466364       4.278373810313130E-002
+ Ar  3.527583123517383E-002  0.896047934140808       0.795328840291565     
+ Ar -1.888111290252139E-003  4.453056230294513E-002   1.62162507464617     
+ Ar  0.860851777160665       4.089630217237031E-002   2.48983344757901     
+ Ar  0.854675871454438       0.842986941975215        1.66825869975346     
+ Ar -1.030990630180061E-002  0.815049429651274        2.52945420325888     
+ Ar -8.659954805468062E-002  1.618984616300863E-002   3.35333175349348     
+ Ar  0.778131911975841       1.387616841389597E-002   4.21637195948668     
+ Ar  0.865155457459360       0.873706622830978        3.34626927909694     
+ Ar -3.351170880784502E-002  0.885553892309336        4.19747894997376     
+ Ar  4.408552976870550E-002   1.64473372507317       2.290279582244573E-002
+ Ar  0.778415348285367        1.69954412549695       0.809298967916912     
+ Ar  0.856213021267037        2.52777984029678      -3.801448288521334E-002
+ Ar  3.409326258267278E-002   2.52009970995135       0.804349094056468     
+ Ar -3.426426457643049E-002   1.67868883407254        1.75982097552947     
+ Ar  0.746589855418663        1.61255961316801        2.48245491178172     
+ Ar  0.849271549265006        2.53739762198202        1.76435399070251     
+ Ar  7.595908452347980E-002   2.57815418930402        2.55008802855880     
+ Ar  0.118863516214891        1.68026001160674        3.36587169083491     
+ Ar  0.916528735571405        1.70117523367727        4.20910434627634     
+ Ar  0.836893393788335        2.57172180865294        3.42822179400943     
+ Ar  5.307803974735541E-002   2.47426244975434        4.10421864334256     
+ Ar  8.247899807300250E-002   3.32430194583624      -3.030789960261682E-003
+ Ar  0.837058668736381        3.32743550749273       0.819463124350271     
+ Ar  0.874507592319224        4.17406598848833      -5.049746621739468E-002
+ Ar  9.386898128787177E-003   4.26816342296589       0.872165804097830     
+ Ar  4.404339954918610E-002   3.35586532045936        1.60400663742922     
+ Ar  0.776236413001911        3.35077289676427        2.51493417072403     
+ Ar  0.852959576504380        4.23650724963146        1.64462904064498     
+ Ar  2.974596551501955E-002   4.18819233240482        2.50229559492992     
+ Ar -2.112318428533188E-002   3.28394181281190        3.40201122162849     
+ Ar  0.852076889746506        3.34298440154520        4.17876596901595     
+ Ar  0.834533475401307        4.19723745272282        3.27617753894577     
+ Ar -1.651879036046454E-002   4.18542539937895        4.15648362726527     
+ Ar   1.57725865907484      -7.334369139100680E-002 -6.909913841254477E-003
+ Ar   2.50309292154114      -6.415773756082110E-002  0.948121122158981     
+ Ar   2.62248493408315       0.833291833341992       2.315098569680403E-002
+ Ar   1.75371633482631       0.798792471538265       0.820577249620091     
+ Ar   1.71676101014758       1.119682216865766E-002   1.73097663416294     
+ Ar   2.46201644698870      -2.936225343420254E-002   2.47902634148169     
+ Ar   2.55203408445186       0.838434770610683        1.64639149287676     
+ Ar   1.73675854946897       0.848178489691560        2.57066976560053     
+ Ar   1.76857983777137      -1.429664069675850E-002   3.40806978590743     
+ Ar   2.52716217395779       3.976167228610505E-002   4.23120467974686     
+ Ar   2.51218481978332       0.838608102726235        3.43629390544535     
+ Ar   1.65648032869933       0.917797318187643        4.20115948481197     
+ Ar   1.69380964888396        1.70694435022641      -1.188118819872011E-002
+ Ar   2.58773524785666        1.66750428174081       0.877214331967462     
+ Ar   2.54335983229385        2.49974109154708       1.862717341398370E-002
+ Ar   1.67309457650702        2.52292436194987       0.783647971202027     
+ Ar   1.69895890471291        1.72317422411882        1.70976080944739     
+ Ar   2.51587307722765        1.71666838862964        2.50241080663194     
+ Ar   2.52723939210605        2.55977972964406        1.70834814551538     
+ Ar   1.64830995159389        2.54177833120081        2.53625648266768     
+ Ar   1.64980090208238        1.76171446766416        3.33858607371559     
+ Ar   2.44990752388946        1.68655379810698        4.18218450048959     
+ Ar   2.51773762058433        2.52749932898193        3.41945480180527     
+ Ar   1.71477077070589        2.59221034236105        4.18582079763785     
+ Ar   1.62680709548512        3.35266402628887      -4.501738740930274E-002
+ Ar   2.58070128345843        3.38229527660416       0.841618457991160     
+ Ar   2.56669623081969        4.21569115262128      -1.409727400289687E-002
+ Ar   1.66992221843432        4.19234307324958       0.812469544172038     
+ Ar   1.60214989318681        3.32967017346996        1.68984718855901     
+ Ar   2.63495214938879        3.36099962902410        2.42966673967338     
+ Ar   2.48497568456436        4.14829765495600        1.66548195933038     
+ Ar   1.65475615531958        4.22655539380277        2.49919652894541     
+ Ar   1.72995075747023        3.37592626111585        3.34564730991203     
+ Ar   2.50050428247262        3.33285572189487        4.25011415595444     
+ Ar   2.47716525777221        4.20441778714603        3.37217702210339     
+ Ar   1.65512913156372        4.20843953533719        4.13484211547866     
+ Ar   3.40077914210923      -3.591699489044495E-002 -5.051622618223956E-002
+ Ar   4.22976845546310      -5.943481989133411E-002  0.827976787257312     
+ Ar   4.14072613458261       0.823123612344154      -6.003223090053527E-002
+ Ar   3.42313348474223       0.843825549637334       0.788486330045433     
+ Ar   3.30478347756206       6.790201111282566E-002   1.65466092199595     
+ Ar   4.20797347216182      -2.111407956049807E-002   2.49933644463425     
+ Ar   4.11091383080115       0.834089903484674        1.67946671704865     
+ Ar   3.25994748418389       0.881260831196205        2.54230137789363     
+ Ar   3.37298695682843       6.621968357745202E-002   3.38333949788799     
+ Ar   4.18290131313650      -3.482350572212091E-002   4.25397912926990     
+ Ar   4.24457509061821       0.877515421194328        3.45339296316902     
+ Ar   3.45930296278070       0.887085025463975        4.21810859559471     
+ Ar   3.30223400408230        1.62030577905443      -6.798919401861923E-003
+ Ar   4.19573910449763        1.72299002437158       0.800824784065447     
+ Ar   4.24287833278377        2.62672179162005      -1.171844632928770E-003
+ Ar   3.28317357679018        2.54058349516029       0.854165464158608     
+ Ar   3.36525900245221        1.68968087928211        1.70274012732660     
+ Ar   4.24463681109563        1.68001533846426        2.54613252158648     
+ Ar   4.20445804588838        2.51867188712169        1.69949506574939     
+ Ar   3.36961295396958        2.58896311786137        2.50369966409017     
+ Ar   3.33685290604760        1.70947949404163        3.38625422076952     
+ Ar   4.27405844260463        1.70414008299895        4.26746868193537     
+ Ar   4.20512933260014        2.47961626832336        3.37422241474624     
+ Ar   3.31750485888244        2.50434272030152        4.25531265665332     
+ Ar   3.35655548830140        3.35872692422093       1.379091017629729E-002
+ Ar   4.23458967291586        3.32768605253125       0.889743784233561     
+ Ar   4.11229134987390        4.16680171190873       8.443554208297543E-002
+ Ar   3.36962513427898        4.21182638892354       0.830107614826586     
+ Ar   3.37104109525588        3.32449244832513        1.69184596179443     
+ Ar   4.14874779473163        3.30138468742149        2.49083991600045     
+ Ar   4.18037725617577        4.20262174400839        1.68876604034123     
+ Ar   3.27984405172670        4.23678798697386        2.49511534213407     
+ Ar   3.33429851464440        3.35707273124879        3.36704782363179     
+ Ar   4.24959489972031        3.29512882274164        4.22357684606924     
+ Ar   4.17981307035717        4.11282310856903        3.38233134178325     
+ Ar   3.39573399684784        4.17462041347496        4.17754464890499     
+         108
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diff --git a/regtest/basic/rt-mpi10/trajectory.1.xyz b/regtest/basic/rt-mpi10/trajectory.1.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..a33fb0241bc304e573b5ca30e71b85e974e0a192
--- /dev/null
+++ b/regtest/basic/rt-mpi10/trajectory.1.xyz
@@ -0,0 +1,1100 @@
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diff --git a/regtest/basic/rt-mpi10/trajectory.2.xyz b/regtest/basic/rt-mpi10/trajectory.2.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..be99d48b46b6aea5beb4d96a7766e30ecc74659d
--- /dev/null
+++ b/regtest/basic/rt-mpi10/trajectory.2.xyz
@@ -0,0 +1,1100 @@
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+ Ar   3.26889408783612        2.52152574924775        4.38400652761676     
+ Ar   3.35166589609703        3.29461545705247       2.199556782777175E-002
+ Ar   4.27375962177807        3.21707865035780       0.951813096355821     
+ Ar   4.08939395943035        4.05846281502895       9.459333352382746E-002
+ Ar   3.30072279587725        4.22606475976981        1.00197308516514     
+ Ar   3.49578477491527        3.32102036930211        1.54043986519850     
+ Ar   4.17767771645916        3.34557125587935        2.42029079445840     
+ Ar   4.11107971070805        4.20427308709450        1.66847390720948     
+ Ar   3.20825153540620        4.36732876704832        2.39490914474285     
+ Ar   3.28498236284964        3.26964325452891        3.37491549727801     
+ Ar   4.31661446993803        3.25360215079398        4.20376952300048     
+ Ar   4.15434425381581        3.88712049196740        3.36153925845236     
+ Ar   3.41917467863288        4.08991256559258        4.15013804937161     
diff --git a/regtest/basic/rt1-init-step/COLVAR.reference b/regtest/basic/rt1-init-step/COLVAR.reference
new file mode 100644
index 0000000000000000000000000000000000000000..df856e18b47ee5f666091bd3d0894fe08af283c6
--- /dev/null
+++ b/regtest/basic/rt1-init-step/COLVAR.reference
@@ -0,0 +1,3 @@
+#! FIELDS time d2 d3 d4 d5 d6 d7 d8
+ 0.050000 1.000000 1.000000 1.414214 1.000000 1.414214 1.414214 1.732051
+ 0.100000 9.000000 9.000000 1.414214 9.000000 1.414214 1.414214 9.011659
diff --git a/regtest/basic/rt1-init-step/Makefile b/regtest/basic/rt1-init-step/Makefile
new file mode 100644
index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee
--- /dev/null
+++ b/regtest/basic/rt1-init-step/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt1-init-step/bck.0.der2.reference b/regtest/basic/rt1-init-step/bck.0.der2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..c7900cb654c6710b7753144beb12fe8d48a6e0c1
--- /dev/null
+++ b/regtest/basic/rt1-init-step/bck.0.der2.reference
@@ -0,0 +1 @@
+fake file just to test backup
diff --git a/regtest/basic/rt1-init-step/config b/regtest/basic/rt1-init-step/config
new file mode 100644
index 0000000000000000000000000000000000000000..0040ca7d131590b070b61f2f51a89b76f9281ebd
--- /dev/null
+++ b/regtest/basic/rt1-init-step/config
@@ -0,0 +1,6 @@
+# this is a stupid test to verify that virial is computed properly
+# notice that in the second conformation (fcc) one atom is slightly shifted
+# to avoid problems with the numerical derivatives (it is exactly at the border between
+# two images)
+type=driver
+arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz trajectory.xyz --dump-forces forces --dump-forces-fmt=%8.4f --initial-step 10"
diff --git a/regtest/basic/rt1-init-step/der2 b/regtest/basic/rt1-init-step/der2
new file mode 100644
index 0000000000000000000000000000000000000000..c7900cb654c6710b7753144beb12fe8d48a6e0c1
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der2
@@ -0,0 +1 @@
+fake file just to test backup
diff --git a/regtest/basic/rt1-init-step/der2.reference b/regtest/basic/rt1-init-step/der2.reference
new file mode 100644
index 0000000000000000000000000000000000000000..cc0182d10ed874fe0a21a582668c0456fa09a172
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der2.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d2 d2_n
+ 0.050000 0   0.00   0.00
+ 0.050000 1   0.00   0.00
+ 0.050000 2   1.00   1.00
+ 0.050000 3   0.00   0.00
+ 0.050000 4   0.00   0.00
+ 0.050000 5  -1.00  -1.00
+ 0.050000 6   0.00   0.00
+ 0.050000 7   0.00   0.00
+ 0.050000 8   0.00   0.00
+ 0.050000 9   0.00   0.00
+ 0.050000 10   0.00   0.00
+ 0.050000 11   0.00   0.00
+ 0.050000 12   0.00   0.00
+ 0.050000 13   0.00   0.00
+ 0.050000 14  -1.00  -1.00
+ 0.100000 0   0.00   0.00
+ 0.100000 1   0.00   0.00
+ 0.100000 2  -1.00  -1.00
+ 0.100000 3   0.00   0.00
+ 0.100000 4   0.00   0.00
+ 0.100000 5   1.00   1.00
+ 0.100000 6   0.00   0.00
+ 0.100000 7   0.00   0.00
+ 0.100000 8   0.00   0.00
+ 0.100000 9   0.00   0.00
+ 0.100000 10   0.00   0.00
+ 0.100000 11   0.00   0.00
+ 0.100000 12   0.00   0.00
+ 0.100000 13   0.00   0.00
+ 0.100000 14  -9.00  -9.00
diff --git a/regtest/basic/rt1-init-step/der3.reference b/regtest/basic/rt1-init-step/der3.reference
new file mode 100644
index 0000000000000000000000000000000000000000..fa17528c2fb0b783718bf65be613d0a75cedc24a
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der3.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d3 d3_n
+ 0.050000 0   0.00   0.00
+ 0.050000 1   1.00   1.00
+ 0.050000 2   0.00   0.00
+ 0.050000 3   0.00   0.00
+ 0.050000 4  -1.00  -1.00
+ 0.050000 5   0.00   0.00
+ 0.050000 6   0.00   0.00
+ 0.050000 7   0.00   0.00
+ 0.050000 8   0.00   0.00
+ 0.050000 9   0.00   0.00
+ 0.050000 10  -1.00  -1.00
+ 0.050000 11   0.00   0.00
+ 0.050000 12   0.00   0.00
+ 0.050000 13   0.00   0.00
+ 0.050000 14   0.00   0.00
+ 0.100000 0   0.00   0.00
+ 0.100000 1  -1.00  -1.00
+ 0.100000 2   0.00   0.00
+ 0.100000 3   0.00   0.00
+ 0.100000 4   1.00   1.00
+ 0.100000 5   0.00   0.00
+ 0.100000 6   0.00   0.00
+ 0.100000 7   0.00   0.00
+ 0.100000 8   0.00   0.00
+ 0.100000 9   0.00   0.00
+ 0.100000 10  -9.00  -9.00
+ 0.100000 11   0.00   0.00
+ 0.100000 12   0.00   0.00
+ 0.100000 13   0.00   0.00
+ 0.100000 14   0.00   0.00
diff --git a/regtest/basic/rt1-init-step/der4.reference b/regtest/basic/rt1-init-step/der4.reference
new file mode 100644
index 0000000000000000000000000000000000000000..b02d8492ce22c76aa185b5057a7e21079c2e5ac8
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der4.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d4 d4_n
+ 0.050000 0   0.00   0.00
+ 0.050000 1   0.71   0.71
+ 0.050000 2   0.71   0.71
+ 0.050000 3   0.00   0.00
+ 0.050000 4  -0.71  -0.71
+ 0.050000 5  -0.71  -0.71
+ 0.050000 6   0.00   0.00
+ 0.050000 7   0.00   0.00
+ 0.050000 8   0.00   0.00
+ 0.050000 9   0.00   0.00
+ 0.050000 10  -0.71  -0.71
+ 0.050000 11  -0.71  -0.71
+ 0.050000 12   0.00   0.00
+ 0.050000 13  -0.71  -0.71
+ 0.050000 14  -0.71  -0.71
+ 0.100000 0   0.00   0.00
+ 0.100000 1   0.71   0.71
+ 0.100000 2   0.71   0.71
+ 0.100000 3   0.00   0.00
+ 0.100000 4  -0.71  -0.71
+ 0.100000 5  -0.71  -0.71
+ 0.100000 6   0.00   0.00
+ 0.100000 7   0.00   0.00
+ 0.100000 8   0.00   0.00
+ 0.100000 9   0.00   0.00
+ 0.100000 10  -0.71  -0.71
+ 0.100000 11  -0.71  -0.71
+ 0.100000 12   0.00   0.00
+ 0.100000 13  -0.71  -0.71
+ 0.100000 14  -0.71  -0.71
diff --git a/regtest/basic/rt1-init-step/der5.reference b/regtest/basic/rt1-init-step/der5.reference
new file mode 100644
index 0000000000000000000000000000000000000000..96c59d3836d251f55b2dee6bbec719fd257f2778
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der5.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d5 d5_n
+ 0.050000 0   1.00   1.00
+ 0.050000 1   0.00   0.00
+ 0.050000 2   0.00   0.00
+ 0.050000 3  -1.00  -1.00
+ 0.050000 4   0.00   0.00
+ 0.050000 5   0.00   0.00
+ 0.050000 6  -1.00  -1.00
+ 0.050000 7   0.00   0.00
+ 0.050000 8   0.00   0.00
+ 0.050000 9   0.00   0.00
+ 0.050000 10   0.00   0.00
+ 0.050000 11   0.00   0.00
+ 0.050000 12   0.00   0.00
+ 0.050000 13   0.00   0.00
+ 0.050000 14   0.00   0.00
+ 0.100000 0  -1.00  -1.00
+ 0.100000 1   0.00   0.00
+ 0.100000 2   0.00   0.00
+ 0.100000 3   1.00   1.00
+ 0.100000 4   0.00   0.00
+ 0.100000 5   0.00   0.00
+ 0.100000 6  -9.00  -9.00
+ 0.100000 7   0.00   0.00
+ 0.100000 8   0.00   0.00
+ 0.100000 9   0.00  -0.00
+ 0.100000 10   0.00   0.00
+ 0.100000 11   0.00   0.00
+ 0.100000 12   0.00  -0.00
+ 0.100000 13   0.00   0.00
+ 0.100000 14   0.00   0.00
diff --git a/regtest/basic/rt1-init-step/der6.reference b/regtest/basic/rt1-init-step/der6.reference
new file mode 100644
index 0000000000000000000000000000000000000000..f204e119c438e02be88edbce8994c6636e68bf7c
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der6.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d6 d6_n
+ 0.050000 0   0.71   0.71
+ 0.050000 1   0.00   0.00
+ 0.050000 2   0.71   0.71
+ 0.050000 3  -0.71  -0.71
+ 0.050000 4   0.00   0.00
+ 0.050000 5  -0.71  -0.71
+ 0.050000 6  -0.71  -0.71
+ 0.050000 7   0.00   0.00
+ 0.050000 8  -0.71  -0.71
+ 0.050000 9   0.00   0.00
+ 0.050000 10   0.00   0.00
+ 0.050000 11   0.00   0.00
+ 0.050000 12  -0.71  -0.71
+ 0.050000 13   0.00   0.00
+ 0.050000 14  -0.71  -0.71
+ 0.100000 0   0.71   0.71
+ 0.100000 1   0.00   0.00
+ 0.100000 2   0.71   0.71
+ 0.100000 3  -0.71  -0.71
+ 0.100000 4   0.00   0.00
+ 0.100000 5  -0.71  -0.71
+ 0.100000 6  -0.71  -0.71
+ 0.100000 7   0.00   0.00
+ 0.100000 8  -0.71  -0.71
+ 0.100000 9   0.00   0.00
+ 0.100000 10   0.00   0.00
+ 0.100000 11   0.00   0.00
+ 0.100000 12  -0.71  -0.71
+ 0.100000 13   0.00   0.00
+ 0.100000 14  -0.71  -0.71
diff --git a/regtest/basic/rt1-init-step/der7.reference b/regtest/basic/rt1-init-step/der7.reference
new file mode 100644
index 0000000000000000000000000000000000000000..593ec2eac5fdcb84e6576606b26d813e2cd39fda
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der7.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d7 d7_n
+ 0.050000 0   0.71   0.71
+ 0.050000 1   0.71   0.71
+ 0.050000 2   0.00   0.00
+ 0.050000 3  -0.71  -0.71
+ 0.050000 4  -0.71  -0.71
+ 0.050000 5   0.00   0.00
+ 0.050000 6  -0.71  -0.71
+ 0.050000 7  -0.71  -0.71
+ 0.050000 8   0.00   0.00
+ 0.050000 9  -0.71  -0.71
+ 0.050000 10  -0.71  -0.71
+ 0.050000 11   0.00   0.00
+ 0.050000 12   0.00   0.00
+ 0.050000 13   0.00   0.00
+ 0.050000 14   0.00   0.00
+ 0.100000 0   0.71   0.71
+ 0.100000 1   0.71   0.71
+ 0.100000 2   0.00   0.00
+ 0.100000 3  -0.71  -0.71
+ 0.100000 4  -0.71  -0.71
+ 0.100000 5   0.00   0.00
+ 0.100000 6  -0.71  -0.71
+ 0.100000 7  -0.71  -0.71
+ 0.100000 8   0.00   0.00
+ 0.100000 9  -0.71  -0.71
+ 0.100000 10  -0.71  -0.71
+ 0.100000 11   0.00   0.00
+ 0.100000 12   0.00   0.00
+ 0.100000 13   0.00   0.00
+ 0.100000 14   0.00   0.00
diff --git a/regtest/basic/rt1-init-step/der8.reference b/regtest/basic/rt1-init-step/der8.reference
new file mode 100644
index 0000000000000000000000000000000000000000..3446f32ee8fbe0b13e87afc4e451fe5508ee5d71
--- /dev/null
+++ b/regtest/basic/rt1-init-step/der8.reference
@@ -0,0 +1,31 @@
+#! FIELDS time parameter d8 d8_n
+ 0.050000 0   0.58   0.58
+ 0.050000 1   0.58   0.58
+ 0.050000 2   0.58   0.58
+ 0.050000 3  -0.58  -0.58
+ 0.050000 4  -0.58  -0.58
+ 0.050000 5  -0.58  -0.58
+ 0.050000 6  -0.58  -0.58
+ 0.050000 7  -0.58  -0.58
+ 0.050000 8  -0.58  -0.58
+ 0.050000 9  -0.58  -0.58
+ 0.050000 10  -0.58  -0.58
+ 0.050000 11  -0.58  -0.58
+ 0.050000 12  -0.58  -0.58
+ 0.050000 13  -0.58  -0.58
+ 0.050000 14  -0.58  -0.58
+ 0.100000 0   0.11   0.11
+ 0.100000 1  -0.99  -0.99
+ 0.100000 2   0.11   0.11
+ 0.100000 3  -0.11  -0.11
+ 0.100000 4   0.99   0.99
+ 0.100000 5  -0.11  -0.11
+ 0.100000 6  -0.11  -0.11
+ 0.100000 7   0.99   0.99
+ 0.100000 8  -0.11  -0.11
+ 0.100000 9   0.99   0.99
+ 0.100000 10  -8.79  -8.79
+ 0.100000 11   0.99   0.99
+ 0.100000 12  -0.11  -0.11
+ 0.100000 13   0.99   0.99
+ 0.100000 14  -0.11  -0.11
diff --git a/regtest/basic/rt1-init-step/plumed.dat b/regtest/basic/rt1-init-step/plumed.dat
new file mode 100644
index 0000000000000000000000000000000000000000..30417f70ef1587bbaacb3f0b3a701fd030e20cc6
--- /dev/null
+++ b/regtest/basic/rt1-init-step/plumed.dat
@@ -0,0 +1,54 @@
+d2: DISTANCE ATOMS=1,2
+d3: DISTANCE ATOMS=1,3
+d4: DISTANCE ATOMS=1,4
+d5: DISTANCE ATOMS=1,5
+d6: DISTANCE ATOMS=1,6
+d7: DISTANCE ATOMS=1,7
+d8: DISTANCE ATOMS=1,8
+
+d2_n: DISTANCE ATOMS=1,2 NUMERICAL_DERIVATIVES
+d3_n: DISTANCE ATOMS=1,3 NUMERICAL_DERIVATIVES
+d4_n: DISTANCE ATOMS=1,4 NUMERICAL_DERIVATIVES
+d5_n: DISTANCE ATOMS=1,5 NUMERICAL_DERIVATIVES
+d6_n: DISTANCE ATOMS=1,6 NUMERICAL_DERIVATIVES
+d7_n: DISTANCE ATOMS=1,7 NUMERICAL_DERIVATIVES
+d8_n: DISTANCE ATOMS=1,8 NUMERICAL_DERIVATIVES
+
+DUMPDERIVATIVES ARG={d2 d2_n} FILE=der2  FMT=%6.2f
+DUMPDERIVATIVES ARG={d3 d3_n} FILE=der3  FMT=%6.2f
+DUMPDERIVATIVES ARG={d4 d4_n} FILE=der4  FMT=%6.2f
+DUMPDERIVATIVES ARG={d5 d5_n} FILE=der5  FMT=%6.2f
+DUMPDERIVATIVES ARG={d6 d6_n} FILE=der6  FMT=%6.2f
+DUMPDERIVATIVES ARG={d7 d7_n} FILE=der7  FMT=%6.2f
+DUMPDERIVATIVES ARG={d8 d8_n} FILE=der8  FMT=%6.2f
+
+ccd2: DISTANCE ATOMS=1,2 COMPONENTS
+ccd3: DISTANCE ATOMS=1,3 COMPONENTS
+ccd4: DISTANCE ATOMS=1,4 COMPONENTS
+ccd5: DISTANCE ATOMS=1,5 COMPONENTS
+ccd6: DISTANCE ATOMS=1,6 COMPONENTS
+ccd7: DISTANCE ATOMS=1,7 COMPONENTS
+ccd8: DISTANCE ATOMS=1,8 COMPONENTS
+
+
+PRINT FILE=COLVAR ARG=d2,d3,d4,d5,d6,d7,d8
+
+PRINT FILE=components2 ARG=ccd2.*
+PRINT FILE=components3 ARG=ccd3.*
+PRINT FILE=components4 ARG=ccd4.*
+PRINT FILE=components5 ARG=ccd5.*
+PRINT FILE=components6 ARG=ccd6.*
+PRINT FILE=components7 ARG=ccd7.*
+PRINT FILE=components8 ARG=ccd8.*
+
+
+
+
+
+
+
+
+
+
+
+ENDPLUMED
diff --git a/regtest/basic/rt1-init-step/trajectory.xyz b/regtest/basic/rt1-init-step/trajectory.xyz
new file mode 100644
index 0000000000000000000000000000000000000000..aa856131c7ed36fea3adba7f25a7eb8bec2164fb
--- /dev/null
+++ b/regtest/basic/rt1-init-step/trajectory.xyz
@@ -0,0 +1,20 @@
+8
+10 0 0 0 10 0 0 0 10
+X 0.5 0.5 0.5
+X 0.5 0.5 9.5
+X 0.5 9.5 0.5
+X 0.5 9.5 9.5
+X 9.5 0.5 0.5
+X 9.5 0.5 9.5
+X 9.5 9.5 0.5
+X 9.5 9.5 9.5
+8
+10 10 0 0 10 10 10 0 10
+X 0.5 0.5 0.5
+X 0.5 0.5 9.5
+X 0.5 9.5 0.5
+X 0.5 9.5 9.5
+X 9.5 0.5 0.5
+X 9.5 0.5 9.5
+X 9.5 9.5 0.5
+X 9.5 9.4 9.5
diff --git a/src/cltools/Driver.cpp b/src/cltools/Driver.cpp
index cf62508ced7e670698a5ddd9ddabcdacff3fb987..3628c9a8e9e91e529664461c55c68ac4c91bb686 100644
--- a/src/cltools/Driver.cpp
+++ b/src/cltools/Driver.cpp
@@ -236,6 +236,7 @@ void Driver<real>::registerKeywords( Keywords& keys ) {
   keys.add("optional","--mc","provides a file with masses and charges as produced with DUMPMASSCHARGE");
   keys.add("optional","--box","comma-separated box dimensions (3 for orthorombic, 9 for generic)");
   keys.add("optional","--natoms","provides number of atoms - only used if file format does not contain number of atoms");
+  keys.add("optional","--initial-step","provides a number for the initial step, default is 0");
   keys.add("optional","--debug-forces","output a file containing the forces due to the bias evaluated using numerical derivatives "
            "and using the analytical derivatives implemented in plumed");
   keys.add("hidden","--debug-float","turns on the single precision version (to check float interface)");
@@ -457,7 +458,8 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) {
 
   }
 
-  if( debug_dd && debug_pd ) error("cannot use debug-dd and debug-pd at the same time");
+
+  if(debug_dd && debug_pd) error("cannot use debug-dd and debug-pd at the same time");
   if(debug_pd || debug_dd) {
     if( !Communicator::initialized() ) error("needs mpi for debug-pd");
   }
@@ -467,6 +469,8 @@ int Driver<real>::main(FILE* in,FILE*out,Communicator& pc) {
   p.cmd("setRealPrecision",&rr);
   int checknatoms=-1;
   long int step=0;
+  parse("--initial-step",step);
+
   if(Communicator::initialized()) {
     if(multi) {
       if(intracomm.Get_rank()==0) p.cmd("GREX setMPIIntercomm",&intercomm.Get_comm());