[gmx-users] Re: Melting simulations - regd
Justin A. Lemkul
jalemkul at vt.edu
Sat Jul 14 13:40:37 CEST 2012
On 7/14/12 1:02 AM, rapolu sukumar wrote:
> Dear Justin,
> Thank you for your reply, here I have one more doubt, I am
> using 'pcoupltype= anisotropic' in my simulationa as the polymers are
> aniostropic, I have searched for compressibility values of system but i
> couldn't find is there any generalized way to set up compressibility values.
Most simulations probably just use the compressibility of water. As for the
accuracy of your simulation if you do this, I cannot say.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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