Dear List,
I have used ff12SB forcefield and I am trying to do MM-PBSA calculation.
I tried changing atom types such from CI to C using parmed.py as per the
this post on the mailing list
http://archive.ambermd.org/201208/0074.html
Once I got rid of this atomtype, MMPBSA complained about CB. I saw this
mailing list by Ray Luo
http://archive.ambermd.org/201409/0222.html
I am using AMBER14 and I was wondering if any progress has been made in
this regards? I tried radiopt=0 but it didn't help with inp=2.
Any help is appreciated.
--
Regards,
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Australia
LinkedIn
Research Gate
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Received on Fri Apr 03 2015 - 09:00:02 PDT
