[AMBER] MMPBSA error

From: DEBOSTUTI GHOSHDASTIDAR <debostutighosh.gmail.com>
Date: Thu, 27 Sep 2012 16:02:07 +0530

Dear all

I am using MMPBSA for calculating DNA-sodium ions binding interactions.
During PB calculations, the job ends with an error during ligand
calculations, whereas complex and receptor calculations go on fine. The
error message says: "Error:mmpbsa-py-energy error during PB calculations. "
Doesnt say anything specific.

Could someone help out with this?

Thanks
-- 
Debostuti Ghosh Dastidar
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 27 2012 - 04:00:02 PDT
Custom Search