Hi,
Is gbsa=2 in your input? Are performing an energy decomposition analysis?
On Tue, Feb 28, 2012 at 5:59 PM, Osman, Roman <roman.osman.mssm.edu> wrote:
> Greetings,
>
> I am running an mmpbsa_py on a complex with a small molecule that contains
> Br.
> I am getting this error:
>
> Beginning GB calculations with sander...
> calculating complex contribution...
> bad atom type: br
>
> I assume the error is because of the Br.
> I would be grateful if you suggest how to fix this problem.
> Thanks very much,
>
> Roman Osman
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
T. Dwight McGee Jr.
Quantum Theory Project
University of Florida
Graduate Student
dwight.mcgee.gmail.com
"Problems cannot be solved at the same level of awareness that created
them."
Albert Einstein
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 28 2012 - 16:00:01 PST
