[AMBER] mmpbsa error: No data for 0+2 MM BOND 200

From: xueqin pang <pangxueqintea.yahoo.com.cn>
Date: Tue, 2 Feb 2010 09:25:55 +0800 (CST)

Hello everyone,
 
When doing mm-pbsa with my protein-ligand system for a 200 snapshots, I get the error: No data for 0+2 MM BOND 200. But it is alright when calculate a 100 and 130 snapshots.  And it is alright with mmgbsa too.
 
So do you have any suggestions on this problem?
 
Thanks so much
 
Xueqin
 
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Received on Mon Feb 01 2010 - 17:30:02 PST
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