On Wed, Mar 03, 2010, Barbault Florent wrote:
>
> I am having trouble with the gaff force-field. I used antechamber to
> generate, from ligand coordinates, my prep file and, when I open this
> file, I found a carbon atom of cz type. However, this type is not
> reported in gaff.dat file...
Looks like a bug; there is a "cz" atom type defined in ATOMTYPE_GFF.DEF, but
nothing in gaff.dat. Can you post the input pdb (or other) file you used?
I'm forwarding this to Junmei Wang for comments.
Thanks for the report...dac
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Received on Wed Mar 03 2010 - 07:30:04 PST
