AMBER Archive (2004)

Subject: AMBER: mm_pbsa energy decomposition error

From: Fang, Jianwen (jwfang_at_ku.edu)
Date: Tue May 25 2004 - 09:40:32 CDT

Dear all,
I am trying to calculate binding energy for a protein/ligand system.
Stability and Binding calculation worked well. But I got "bad atom
type: oh" when I run energy decomposition. I found the error related to
the flag "gbsa". "gbsa = 0" is OK and "gbsa=1" generates the error. My
question is what went wrong? I used antechamber to generate "prep" file
for second ligand which is part of complex.
Thanks a lot in advance!
--Jianwen

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