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
DICP CAS
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Received on Mon Feb 01 2010 - 17:30:02 PST