RE: AMBER: error in tleap test

From: Christian Roth <croth5.uwyo.edu>
Date: Wed, 15 Nov 2006 11:18:07 -0700

Hi Scott,

Thank you for the help.
The problem was very simple I did not have access to the necessary
folder.
Now everything works fine except for a significant difference in the
calculation of amoeba volume, is this serious?

possible FAILURE: check amoeba_jac.mdout.dif
206c206
< EKCMT = 0. VIRIAL = 0. VOLUME =
0.0013 
---
>  EKCMT  =         0.  VIRIAL  =         0.  VOLUME     =
0.0028
Thanks,
Christian
-----Original Message-----
From: Scott Brozell [mailto:sbrozell.scripps.edu] 
Sent: Wednesday, November 15, 2006 10:55 AM
To: amber.scripps.edu
Subject: Re: AMBER: error in tleap test
Hi,
On Tue, 14 Nov 2006, Christian Roth wrote:
> When running make test.serial, I encountered the following problem:
> cd leap; ./Run.tleap
> Running leap tests on ./tleap -> ../../exe/teLeap
>     building force field libraries:
>         '91 ff..
> ./Run.tleap:  Program error in leap
Look for clues in these files
amber_home/test/leap/lib91.out
amber_home/test/leap/leap.out
Scott
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Received on Sun Nov 19 2006 - 06:07:12 PST
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