AMBER Archive (2008)

Subject: AMBER: MM-PBSA Issue in Amber 10

From: Peterson, Matthew W. (
Date: Tue Aug 12 2008 - 12:44:29 CDT



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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