[gmx-users] Decane layer
mn2 at hw.ac.uk
Tue Aug 9 15:27:33 CEST 2005
It is pure decane density. Could you please describe briefly how to make
decane/ water interface. I probably, missing something out.
> 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
>> 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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