[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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