[gmx-users] environment variable GMX_MAXCONSTRWARN to -1,
drugdesign
drugdesign at yandex.ru
Sun Jan 18 12:30:29 CET 2009
gmx-users at gromacs.org
Dear Gromacs users,
I've got an error while runing molecular dynamics simulation in GROMACs. Where can I find GMX_MAXCONSTRWARN and where can I set it?
Program mdrun, VERSION 4.0.2
Source code file: constr.c, line: 136
Fatal error:
Too many LINCS warnings (2483)
If you know what you are doing you can adjust the lincs warning threshold in your mdp file
or set the environment variable GMX_MAXCONSTRWARN to -1,
but normally it is better to fix the problem
More information about the gromacs.org_gmx-users
mailing list