Thank you so much, will try.
Понедельник, 29 апреля 2013, 7:53 -04:00 от David A Case <case.biomaps.rutgers.edu>:
>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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 29 2013 - 05:00:03 PDT
