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
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
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