Samik Bhattacharya wrote:
Hi all, i ma simulating a membrane protein, in which i am facing a
problem in the equilibration step. in the NVT equilibration when i am
running the mdrun command i am getting a msg like
Program mdrun, VERSION 4.0.5
Source code file: constr.c, line: 136
Fatal error:
Too many LINCS warnings (1966)
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
i cant understand how to fix the problem. where actually lies the error?
is it in the mdp file i am using? some suggestions will be really
helpful in this regard. Thank you all for the help in advance.
http://oldwiki.gromacs.org/index.php/Errors#LINCS.2FSETTLE.2FSHAKE_warnings
Mark
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