[gmx-users] .mtx file

Justin Lemkul jalemkul at vt.edu
Thu Mar 10 00:09:09 CET 2016

On 3/9/16 6:00 PM, Alexander Alexander wrote:
> Dear Gromacs user,
> I was wondering why no .mtx file as hessian file was produced in my gmx
> mdrun?
> I used below command to submit my mdrun job:
> gmx mdrun -deffnm md -s md.tpr -mtx hessian.mtx -ntomp 4 -ntmpi 4
> neither md.mtx nor hessian.mtx!?

It's only produced when running NMA.



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


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