[gmx-users] Re: Running Pull Code

Justin Lemkul jalemkul at vt.edu
Sat May 18 20:47:06 CEST 2013

On 5/18/13 1:23 AM, Shima Arasteh wrote:
> If I skip the pulling code step, how could I generate configurations while there are one ion in each window? Am I supposed to save my favorite snapshots during MD simulation trajectory?

You can generate configurations in any way you see fit.  SMD is just one 



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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