[gmx-users] emstep unit

Justin Lemkul 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.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
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