[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
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
--
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
More information about the gromacs.org_gmx-users
mailing list