On 6/4/13 8:46 AM, Bao Kai wrote:
Hi, all,
I want to do NPT simulations with different compositions first. Then I want
to connect the two boxes to continue the NPT simulation.
I mean, after simulations, we get two boxes with different compositions.
Can we do that with gromacs? or how can we do that?
One possible approach:
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/biphasic/index.html
-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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