[gmx-users] energia of interaction

[David]

On Fri, 2004-01-09 at 00:31, Mauricio Arenas Salinas wrote:
> hello:
> HOW I can measure energia of interaction between the 
> monomere  that forms a dimeric protein.
you have to define energy groups (in yourmdp file) consisting of one
protein each (and one for solvent etc.)

> 
> thank you very much.
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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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