[gmx-users] Gromacs Surface tension

[David van der Spoel]

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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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