[gmx-users] Simple L-J Particles' simulation
Albert Sun
albert_sun9 at yahoo.com
Mon Nov 3 23:22:00 CET 2003
Hi, Nuno,
I ran those files from David, they are OK.
I exactly used .top file and .mdp file from David, ( top file was changed in number of atoms).
I only changed .gro file, which is randomly produced and been minimized in energy.
But don't know why it did not work.
Thanks
"Nuno R. L. Ferreira" <nunolf at ci.uc.pt> wrote:
Hi Albert
From the beggining.
You have some files from David, 125 Ar atoms , isn't it? Did you ever tryed
to do mdrun with David's files in the same conditions you are trying now?
Regards
Nuno
######################################
Nuno Ricardo Santos Loureiro da Silva Ferreira
Departamento de Química
Faculdade de Ciências e Tecnologia
Universidade de Coimbra
3004-535 Coimbra - Portugal
Fax: +351 239 827703 - www.biolchem.qui.uc.pt
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