[gmx-users] restraints on water oxygen atoms

Justin Lemkul jalemkul at vt.edu
Mon Jun 10 20:42:14 CEST 2013

On 6/10/13 12:24 PM, Shima Arasteh wrote:
> Would you please tell me which initial deletion radius?

It would be easier for you to provide the exact command(s) you're using.  Maybe 
you've posted this information before, but this thread (or at least, related 
topics) has gone on for a very long time and maybe I'm forgetting.

> And do you mean a smaller scale up factor ( for example 0.90 ) by saying shrink more slowly?

A larger shrinking factor, e.g. 0.95 or 0.97, will shrink more slowly.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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