[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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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