[gmx-users] Compressibility for NPT simulation at 600 bar
David van der Spoel
spoel at xray.bmc.uu.se
Mon Dec 6 09:25:44 CET 2004
On Mon, 2004-12-06 at 12:56 +0530, sunita at chem.iitb.ac.in wrote:
> Dear gmx-users,
> I want to perform a simulation of the peptide with SPC water at 300 K
> under NPT conditions but I want to keep the pressure at 600 bar. What
> would be the corresponding compressibility for that system?
> Your suggestions will be highly appreciated.
Doesn't really matter.
> I would be very thankful if anyone could send a reference for it.
The normal pcoupling reference applies.
> With best regards,
> Sunita Patel
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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