[gmx-users] simulation of the protein in vacuum

[Alan Wilter Sousa da Silva]

David wrote:
>set all cutoffs to zero, nstlist = 0 and use comm-mode = angular

Nice, so, GMX won't mind about PME, RF etc. automatically, right? And I 
should use GROMOS96 43b1 Vacuum Forcefield (official distribution), ok?

Cheers,
Alan

--------------------------
Alan Wilter Sousa da Silva
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D.Sc. - IBCCF/UFRJ
Projeto BioPAUA - HP/LNCC
Petrópolis (RJ), Brasil
www.lncc.br/~alan