[gmx-users] restraints on water oxygen atoms

[Justin Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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