Pedro Alexandre Lapido Loureiro wrote:
Hi,
I am not sure if this is how I should ask questions regarding
Gromacs,
but here goes. I was wondering if anyone knows if there is an internal
program in Gromacs for calculating surface tension. I would like to
model
a lipid bilayer, and then determine the surface tension on that bilayer
under certain conditions. Is there an included way for me to do that in
Gromacs, or do I need to modify the Gromacs code?
Thanks,
Mike
Use the option "#Surf*SurfTens" in g_energy.
and divide by two because you have two surfaces.
Cheers.
Pedro.
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David.
________________________________________________________________________
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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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