diff --git a/regtest/basic/rt19/CC2.reference b/regtest/basic/rt19/CC2.reference new file mode 100644 index 0000000000000000000000000000000000000000..35d128d798333590b32d4f8292c200d0b6f9457b --- /dev/null +++ b/regtest/basic/rt19/CC2.reference @@ -0,0 +1,6 @@ +#! FIELDS time r2 + 0.000000 1.4960 + 0.050000 1.5030 + 0.100000 1.4960 + 0.150000 1.5020 + 0.200000 1.5020 diff --git a/regtest/basic/rt19/input_colvar2 b/regtest/basic/rt19/input_colvar2 new file mode 100644 index 0000000000000000000000000000000000000000..d028707bc3988b852463f17cf1354141b9a34dd2 --- /dev/null +++ b/regtest/basic/rt19/input_colvar2 @@ -0,0 +1,11 @@ +#! FIELDS time rmsd0 rmsds0 rmsd1 rmsds1 rmsd2 rmsds2 rmsd3 rmsds3 rmsd4 rmsds4 sum @11.bias @11.force2 + 0.000000 1.496 1.643 1.496 1.643 1.337 1.486 1.336 1.486 2.329 2.130 16.381 6.550 13.100 + 0.050000 1.502 1.650 1.503 1.650 1.347 1.497 1.347 1.496 2.332 2.128 16.452 6.294 12.589 + 0.100000 1.503 1.653 1.504 1.653 1.351 1.502 1.350 1.501 2.324 2.120 16.461 6.262 12.525 + 0.150000 1.502 1.653 1.502 1.654 1.350 1.503 1.350 1.503 2.308 2.108 16.433 6.361 12.721 + 0.200000 1.496 1.649 1.496 1.649 1.347 1.500 1.346 1.499 2.278 2.080 16.340 6.696 13.392 + 0.000000 1.496 1.643 1.496 1.643 1.337 1.486 1.336 1.486 2.329 2.130 16.381 6.550 13.100 + 0.050000 1.502 1.650 1.503 1.650 1.347 1.497 1.347 1.496 2.332 2.128 16.452 6.294 12.589 + 0.100000 1.503 1.653 1.504 1.653 1.351 1.502 1.350 1.501 2.324 2.120 16.461 6.262 12.525 + 0.150000 1.502 1.653 1.502 1.654 1.350 1.503 1.350 1.503 2.308 2.108 16.433 6.361 12.721 + 0.200000 1.496 1.649 1.496 1.649 1.347 1.500 1.346 1.499 2.278 2.080 16.340 6.696 13.392 diff --git a/regtest/basic/rt19/plumed.dat b/regtest/basic/rt19/plumed.dat index 6641feedba4fc0ef682869d2fd0a8834f694bad7..62d6de79f085f7ef385173f299fc93fa6ee3a1e0 100644 --- a/regtest/basic/rt19/plumed.dat +++ b/regtest/basic/rt19/plumed.dat @@ -22,6 +22,9 @@ PRINT ARG=* FILE=COLVAR.nores.gz FMT=%6.3f RESTART=NO r1: READ VALUES=rmsd0 FILE=input_colvar.gz PRINT ARG=r1 STRIDE=10 FILE=CC.gz FMT=%8.4f +r2: READ VALUES=rmsd0 FILE=input_colvar2 EVERY=2 IGNORE_TIME +PRINT ARG=r2 FILE=CC2 FMT=%8.4f + METAD FILE=HH.gz ARG=rmsd0 SIGMA=1 HEIGHT=0.1 PACE=10 FMT=%10.6f ENDPLUMED