On 9/21/13 2:47 PM, Atila Petrosian wrote:
Dear Justin
Thanks for your reply.
Ok. You are right. There is no "time" during EM.
For example, if I use nstep = 10,000 and emstep = 0.01,
what means of Step size in this case, exactly?
Please give me more explanation.
A quick Google search turns up useful information, and Wikipedia has a decent
article. Beyond that, it's a topic covered by just about every molecular
modeling textbook out there.
-Justin
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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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