[gmx-users] pressure coupling for lipid bilayer
David van der Spoel
spoel at xray.bmc.uu.se
Fri May 3 00:27:02 CEST 2002
On Thu, 2 May 2002, Anton Feenstra wrote:
>> lipid) = 42 A**2, which is way too small! However, I have the same value
>> from the pre-equilibrated POPC bilayer (64 monomers) given by Marrink.
>> Did I do something wrong??
>It might be a trivial (and useless) answer, but wouldn't you simply
>take the surface of the two lateral box plane (e.g. the x- and y- box
>lengths multiplied) and devide that by the number of monomers?
Yes, that is the only correct way.
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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