jalemkul at vt.edu
Wed May 4 14:35:13 CEST 2016
On 5/4/16 8:32 AM, ingram wrote:
> Dear GROMITES
> I have run a simulation that will take longer than a day (longer than my allowed
> time for one simulaiton on the cluster)
> I ran the command mdrun -deffnm md_golp
> Now I'm not sure which .cpt file to use. Two are produced, one called state.cpt
> and one called md_golp.cpt. They are different, but why and which one should I
> use to continue the simulation?
No file named state.cpt would be produced by the above command. The output of
that mdrun command will be md_golp.cpt (as you have used -deffnm to set names
for *all* output files).
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
More information about the gromacs.org_gmx-users