On Sep 17, 2009, at 10:02 AM, case wrote:
>> With Chimera and the Amber score prep changes in 6.3 one can avoid
>> mopac
>> in DOCK per se.
>
> How does this work? That is, how are the ligand charges calculated?
In Chimera, Antechamber is called which in turn calls mopac.
--Eric
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Sep 17 2009 - 11:00:02 PDT
