On Mon, Apr 29, 2013, Alexey Zeifman wrote:
>
> I have faced a problem with parametrization of the Pd(0) complex in
> antechamber. It fails while running the "bondtype" application saying:
Antechamber is designed for organic molecules, not for metal ions. You can
try the MCPB module, which offers some assistance in getting parameters for
metal ion centers. But please note that this is in generally quite a
difficult and involved problem.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 29 2013 - 05:00:02 PDT
