[gmx-users] Decane layer
spoel at xray.bmc.uu.se
Mon Aug 8 21:54:15 CEST 2005
On Mon, 2005-08-08 at 20:32 +0100, M.Naser wrote:
> Thanks david for your reply. I did not expect to get the accurate density.
> I wanted 730 kg/m3. I am using following parameter for pressure:
> Pcoupl = Berendsen
> pcoupltype = isotropic
> tau_p = 1.0
> compressibility = 4.5e-5
> ref_p = 1.0
that's all fine, but the density (you didn't say what you got) depends
on the amount of water and decane of course. 730 g/l sounds low.
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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