[gmx-users] some problems when using g_membed
mircial at sjtu.edu.cn
mircial at sjtu.edu.cn
Tue Oct 18 05:08:03 CEST 2011
Dear All:
I am using g_membed command to insert a protein into a membrane
bilayer, however, when I run the following command:
g_membed -f input.tpr -p topology.top -xyinit 0.1 -xyend 1.0 -nxy 1000
I encountered the following errors:
Program g_membed, VERSION 4.5.4
Source code file: constr.c, line: 176
Fatal error:
Too many LINCS warnings (3270)
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
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
Does this mean that there is some un-reasonable physical positions?
How can I set the environment variable GMX_MAXCONSTRWARN to -1 or how
can I avoid this error?
Thanks very much for your time and your kind!
Best Regards
R.-X. G.
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