GROMACS development

10/18/2010

06:51 AM GROMACS Bug #595: gromos43a1.ff/methanol.itp has incompatible atom type "CMET" and "OMET"

Created an attachment (id=558)
Topology file to reproduce
Reading this file with grompp will reproduce the bug.

06:50 AM GROMACS Bug #595 (Closed): gromos43a1.ff/methanol.itp has incompatible atom type "CMET" and "OMET"

Created an attachment (id=557)
Patch to methanol.itp
From GROMACS version 4.5, gromos43a1 force field uses "CMet" at...