On Tue, 2015-08-04 at 11:53 +0530, MOHD HOMAIDUR RAHMAN wrote:
> Dear Amber Users
>
> I have a metalloprotein (Co2+) complex bound to the substrate. I have
> generated trajectory 60ns MD run using AMBER. Now I am planning to do
> binding energy calculation for ligand-protein. I use AMBER12. Using
> antechamber I got the necessary complex, ligand and receptor topology
> files. However when I try to run MMPBSA.py, the error that i am getting is
> bad atom type.
Try putting the error message into Google. This problem has been
addressed many times in the past, and there are several posts that
explain how to fix it that should come up following a simple search.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Aug 04 2015 - 06:00:03 PDT
