[gmx-users] nb exclusion and pbc

[David van der Spoel]

On Wed, 2005-03-30 at 16:00 +0200, Uwe Richter wrote:
> Dear gromacs users,
> 
> is it possible to exclude nb interaction between certain parts of a 
> system (e.g. a
> peptide and the solvent) while using PBCs. It might sound like a weird 
> thing to
> do. I just want to know it is possible technically.
easy, energy_excl in the mdp file.
> 
> Thanks,
> Uwe
> 
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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://xray.bmc.uu.se/~spoel
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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://xray.bmc.uu.se/~spoel
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