AMBER: and Amber10

From: <>
Date: Mon, 10 Nov 2008 11:05:27 -0500

We recently got AMBER 10 and I am trying to run the MM-PBSA examples and
Tutorials that come with Amber and they fail. I attached the output of
in the "src/mm_pbsa/Examples/02_MMPBSA_Stability" directory.
In this directory will run, will give error messages, but
still produce the output files.
Running the script in "03_MM_PBSA_Binding" will give error messages and
no output.
Is this a problem on our end? Could someone check and let me know if
this works for you, using AMBER 10?
I am not familiar with the code, but from what I can tell the
script is looking for the variables
ENPOLAR and ELRAELE in the sander output. These variables do not seem to
appear in the output from sander.
The script is also looking for "EPB = ", what sander produces is "EPB
=" (different number of spaces).
I am new to Amber, so this could be a problem on my side of the
keyboard. Just as a sanity check, does work with AMBER 10 at
other sites?
  Many Thanks,

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Received on Fri Dec 05 2008 - 14:13:02 PST
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