diff --git a/regtest/rt-gt-27/Makefile b/regtest/rt28/Makefile similarity index 100% rename from regtest/rt-gt-27/Makefile rename to regtest/rt28/Makefile diff --git a/regtest/rt-gt-27/config b/regtest/rt28/config similarity index 100% rename from regtest/rt-gt-27/config rename to regtest/rt28/config diff --git a/regtest/rt-gt-28/derivatives.reference b/regtest/rt28/derivatives.reference similarity index 100% rename from regtest/rt-gt-28/derivatives.reference rename to regtest/rt28/derivatives.reference diff --git a/regtest/rt-gt-28/field.1.reference b/regtest/rt28/field.1.reference similarity index 100% rename from regtest/rt-gt-28/field.1.reference rename to regtest/rt28/field.1.reference diff --git a/regtest/rt-gt-28/plumed.dat b/regtest/rt28/plumed.dat similarity index 100% rename from regtest/rt-gt-28/plumed.dat rename to regtest/rt28/plumed.dat diff --git a/regtest/rt-gt-27/trajectory.xyz b/regtest/rt28/trajectory.xyz similarity index 100% rename from regtest/rt-gt-27/trajectory.xyz rename to regtest/rt28/trajectory.xyz diff --git a/regtest/rt-gt-28/Makefile b/regtest/rt29/Makefile similarity index 100% rename from regtest/rt-gt-28/Makefile rename to regtest/rt29/Makefile diff --git a/regtest/rt-gt-28/config b/regtest/rt29/config similarity index 100% rename from regtest/rt-gt-28/config rename to regtest/rt29/config diff --git a/regtest/rt-gt-27/derivatives.reference b/regtest/rt29/derivatives.reference similarity index 100% rename from regtest/rt-gt-27/derivatives.reference rename to regtest/rt29/derivatives.reference diff --git a/regtest/rt-gt-27/plumed.dat b/regtest/rt29/plumed.dat similarity index 100% rename from regtest/rt-gt-27/plumed.dat rename to regtest/rt29/plumed.dat diff --git a/regtest/rt-gt-28/trajectory.xyz b/regtest/rt29/trajectory.xyz similarity index 100% rename from regtest/rt-gt-28/trajectory.xyz rename to regtest/rt29/trajectory.xyz diff --git a/src/ContactMap.cpp b/src/ContactMap.cpp index cb53f1077cc62cd93133eb70444e9fd9e8cc6caa..e7724d89b95616dac2a05be6fcac823f735fe796 100644 --- a/src/ContactMap.cpp +++ b/src/ContactMap.cpp @@ -53,7 +53,7 @@ reduceListAtNextStep(false) parseFlag("SUM",dosum); bool nopbc=!pbc; parseFlag("NOPBC",nopbc); - pbc=!nopbc; parseFlag("PBC",pbc); + pbc=!nopbc; // Read in the atoms std::vector<AtomNumber> t, ga_lista, gb_lista;