[gmx-users] Too many LINCS warnings
quyviolet at gmail.com
Tue Jan 20 13:06:05 CET 2015
I am running an nvt equilibration for a System including 2 Proteins and 2
I have got this error:
*"Fatal error:Too many LINCS warnings (1000)If you know what you are doing
you can adjust the lincs warning threshold in your mdp fileor set the
environment variable GMX_MAXCONSTRWARN to -1,but normally it is better to
fix the problem"*
Reading from some forums I thought it could be (1) the system was
insufficiently minimized, (2) the .mdp settings are incorrect, and/or (3)
the ligand topology is flawed.
I checked the potential energy after EM and the pdb file, it looks stable
and fine to me. I guess my nvt.mdp file is incorrect (please find them in
Could you please guide me where is the incorrect point?
Many thanks for any help.
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