[gmx-users] fixing HOH

Alan Wilter Sousa da Silva alan at lncc.br
Wed Oct 20 13:37:15 CEST 2004

Thank y'all Anton and David.

I'll check it out.

On Tue, 19 Oct 2004, Anton Feenstra wrote:
> Yes - in principle. There should be a .hdb entry for 'HOH' or something
> similar in the ff*.hdb file for whatever ff you use. If not, you can
> easily steal it from the ffgmx.hdb, after taking proper care of atom
> names.
> > Maybe does it depends on PDB atom nomenclature?
> It probably does, check the .hdb entry.
Alan Wilter Sousa da Silva
Projeto BioPAUA - HP/LNCC
Petrópolis (RJ), Brasil

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