[gmx-users] Too many LINCS warnings

[Justin Lemkul]

On 1/20/15 7:06 AM, Jennifer Vo wrote:
> 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?

http://www.gromacs.org/Documentation/Terminology/Blowing_Up#Diagnosing_an_Unstable_System

Also, if you Google your error, you'll see about 10,000 posts with the same 
problem and possible solutions.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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