[gmx-users] Questions on PRODRG
Daan van Aalten
vdava at davapc1.bioch.dundee.ac.uk
Tue Sep 7 10:32:33 CEST 2004
It is through tabulated data. So far it can only deal with H,C,N,O,S,P,Cl
On Fri, 3 Sep 2004, Sekwan Oh wrote:
> I have very foolish questions.
> On what basis can PRODRG create the topology files with lots of different
> kind of molecules? (Tabulated data? Quantum simulation?)
> Can I get the topology files if I, for example, add several Gold atoms at
> the end of the peptide?
> Thank you.
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