Are you using the python or perl version of MMPBSA?
On Mon, Mar 14, 2011 at 11:20 PM, Roman Osman <roman.osman.mssm.edu> wrote:
> Hi,
> I am trying to calculate MMPBSA with the IVCAP = 1; CUTCAP = 15.0
> I am getting the following message in pbsa_com.1.out:
>
> | Flags:
> cap water should only be run with eneopt=1 and frcopt=0
>
> How do I set these parameters in the input?
>
> Thanks for your help,
> Rami 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 Mon Mar 14 2011 - 20:30:07 PDT
