jalemkul at vt.edu
Wed Aug 12 23:13:32 CEST 2015
On 8/12/15 5:12 PM, Eric Smoll wrote:
> Mark and Justin,
> Thank you for the help. It is much appreciated.
> Is there a way to prevent the output of an .edr file altogether? Is there a
> way to prevent the output of a .trr file all together?
nstenergy = 0
nstxout = 0
nstvout = 0
nstfout = 0
Don't know how that's useful to you based on what you want to look at, but
that's how you'd do it.
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