[AMBER] MMPBSA error

From: Hira Jabeen <hira_bioinfo.yahoo.com>
Date: Wed, 2 Mar 2016 05:56:42 +0000 (UTC)

Dear all,
I am trying to calculate binding free energy using MMPBSA.py of an enzyme and i am getting the error attached here as jpeg file.I google the error and got suggestion of using inp=1 and radiopt=0, but even then its giving the same error. The input file is also attached here.
Regards,Hira

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Tue Mar 01 2016 - 22:00:03 PST
Custom Search