AMBER: MM-PBSA Issue in Amber 10

From: Peterson, Matthew W. <>
Date: Tue, 12 Aug 2008 13:44:29 -0400



We recently upgraded from Amber 9 to Amber 10, and we've been running
into problems running


The error I'm getting is


=>> Calc delta from raw data

         No data for 0+0 MM BOND 0


The snapshots seem to get created correctly (I used ambpdb to check
against our .prmtop files), and the BOND term is there for the first


Has anyone run into this problem previously?







Matthew Peterson

The MITRE Corporation


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Received on Wed Aug 13 2008 - 06:07:45 PDT
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