AMBER: addition to: problem with a small system

From: GUILLERMINA L ESTIU <gle10.psu.edu>
Date: Wed, 23 Jul 2003 14:36:03 -0400 (EDT)

Another data: amber 6 works fine for the system


---------- Forwarded message ----------
Date: Wed, 23 Jul 2003 12:22:34 -0500
From: "GUILLERMINA L ESTIU" <gle10.psu.edu>
To: amber.scripps.edu
Subject: strange problem with a small system



I am using amber7. I am actually running long dynamics on a large system (180000
atoms) for which I have built some parameters
Now I am trying to run tleap for a small system (active site) of only 76 atoms.
Tleap does not complain. Everything is fine in the log file, but it is giving
me "core dump" and fails to finish writing either the crd or the top file,
whichever I define first
For example, the last line of the crd file looks like:
  1.30000000E+00 1.30000000E+00 1.50000000E+00 1.70000000E+0
It is missing the last digit
Any hint?



Dr Guillermina Estiu
Chemistry Department
Pennsylvania State University
PA 16802

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Received on Wed Jul 23 2003 - 19:53:00 PDT
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