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
possibility.
-Justin
--
========================================
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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