[gmx-users] Re:[gmx-users] box of methanol

=?iso-8859-1?Q??= nicolis at guideo.fr
Fri Jul 12 15:56:01 CEST 2002


> does anybody have a(n) (equilibrated) box of methanol and/or 
> water/methanol mixture? I couldn't find any on gromacs web site.
> Tanks in advance

I am in the process of equilibrating a box of methanol in NPT, but does 
somebody have the exact value for the methanol compressibility? In the 
handbook I have here, I found only very high pressure values.

If you want I can send it after, but you have to check is OK before to use it, 
because it is my first attempt.

Thanks,
Yiannis




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