[gmx-users] Simple L-J Particles' simulation

[Albert Sun]

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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