[gmx-users] Intermolecular_energy
David van der Spoel
spoel at xray.bmc.uu.se
Tue Dec 7 16:43:09 CET 2004
On Tue, 2004-12-07 at 12:20 +0000, Osmair Vital de Oliveira wrote:
> Hi all,
>
> I not understand how to calculate the intermolecular energy,
> because the Coul-SR energy consider the intra and intermolecular
> interactions. Is true?
>
define energy_groups in your mdp file.
> Any suggestion
>
> Thank's
>
> Osmair Vital
> Brazil
>
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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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