[gmx-users] Too many LINCS warnings

Jennifer Vo quyviolet at gmail.com
Tue Jan 20 13:06:05 CET 2015


Dear Experts,
I am running an nvt equilibration for a System including 2 Proteins and 2
ligands.
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
attachments).
Could you please guide me where is the incorrect point?
Many thanks for any help.
Regards,
Jennifer


More information about the gromacs.org_gmx-users mailing list