Hi Atilio,
Please send your leap.log file to the list so we can better assess the
problem.
Thanks,
Rhonda
On Thu, 19 Aug 2004, Atilio Anzellotti wrote:
> Dear sir(s),
>
> I am trying to model some DNA-transition metal interactions, but
> xleap is not recognizing the metal atom. So far I have chosen
> leaprc.gaff as a source and I used the command: mods = loadamberparams
> frcmod.xxx, to load a valid force field for the metal ion. But when I
> select the complex, xleap cannot assign the atom type nor the charge
> to the metal.
>
> I will appreciate your help on this regard, and also all the
> information regarding working with metal ions in Amber that you can
> provide me.
>
> Thanks and Best Regards.
>
> Atilio Anzellotti.
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Received on Fri Aug 20 2004 - 02:53:01 PDT
