AMBER Archive (2008)

Subject: AMBER: MM-PBSA Issue in Amber 10

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

Hello,

 

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

 

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
snapshot.

 

Has anyone run into this problem previously?

 

Thanks,

 

Matt

 

 

Matthew Peterson

The MITRE Corporation

mpeterson_at_mitre.org

 

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