On 12/18/12 10:30 AM, Kieu Thu Nguyen wrote:
Dear All,
Are there any difference in nvt.mdp and npt.mdp files between MD-CG and
MD-AA ?
Settings in the .mdp file are dictated by the chosen force field. Every force
field is different and requires proper settings.
-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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