[gmx-users] emstep unit
jalemkul at vt.edu
Sat Sep 21 19:50:01 CEST 2013
On 9/21/13 1:47 PM, Atila Petrosian wrote:
> Dear gromacs users
> What is the reason of this point that
> unit of the emstep (step size)is nm?
> I think ps (unit of time) is more resonable.
> If I am wrong, please give me explanation about this point.
Energy minimization is a non-dynamical process; there is no "time" during EM.
Step size is in nm.
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
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