[gmx-users] How to increase (like x2) interactions

David van der Spoel spoel at xray.bmc.uu.se
Fri Oct 28 08:53:33 CEST 2005


On Thu, 2005-10-27 at 23:11 -0200, Diego Enry wrote:
> Dear gmx-users,
> 
> Is there a way to tell grompp to automatically increase (like x2) vdw
> and eletro interactions between two molecules ?
Not for vanderwaals, for electrostatics you can set epsilon_r to 0.5 (at
your own risk)


> 
> 
> --
> Diego Enry B. Gomes
> Laboratório de Modelagem e Dinamica Molecular
> Universidade Federal do Rio de Janeiro - Brasil.
> diego at ufrj.br
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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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