diff --git a/CHANGES/v2.4.md b/CHANGES/v2.4.md index 8d2a583be6b6fd80560e251c1a6ed264886d54de..832d0bae43aead3e0df21da304aed1ab97f3a518 100644 --- a/CHANGES/v2.4.md +++ b/CHANGES/v2.4.md @@ -207,6 +207,7 @@ For users: - Fix some performances regression issue with OpenMP - Updated NAMD patches to version 2.12 and 2.13. Old patches have been removed. - GROMACS patch for gromacs-2018.4. + - Fix a bug in CS2BACKBONE when using more than 2 chains For developers: - Small fix in LDFLAGS when enabling coverage. diff --git a/src/isdb/CS2Backbone.cpp b/src/isdb/CS2Backbone.cpp index abea48f089c9642865f93e7eb1fbba7b8ed13d3e..4b82fc760d27c5e44687749f2dd50813be4599e4 100644 --- a/src/isdb/CS2Backbone.cpp +++ b/src/isdb/CS2Backbone.cpp @@ -1476,7 +1476,7 @@ void CS2Backbone::init_sidechain(const PDB &pdb) { } } - old_size += aend.index()+1; + old_size = aend.index()+1; } } @@ -1566,7 +1566,7 @@ void CS2Backbone::init_xdist(const PDB &pdb) { atom[s][a].xd2.push_back(add2); } } - old_size += aend.index()+1; + old_size = aend.index()+1; } } @@ -1689,7 +1689,7 @@ void CS2Backbone::init_rings(const PDB &pdb) { plumed_merror("Unkwown Ring Fragment"); } } - old_size += aend.index()+1; + old_size = aend.index()+1; } }