[gmx-users] energy minimization problem
jalemkul at vt.edu
Fri May 15 03:35:44 CEST 2015
On 5/14/15 8:50 PM, Ming Tang wrote:
> Dear Justin,
> could you please tell me how to get the maximum force of an exact atom? I tried g_traj -of, but did not get any force data.
It's printed at the end of the .log file from EM ("Maximum force = XXX on atom
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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