[gmx-users] Re: Melting simulations - regd

[Justin A. Lemkul]

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

-- 
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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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