On Thu, Jan 28, 2010, sikander azam wrote:
> following was the only possible failure found in TEST_FAILURES.diff file
>
> possible FAILURE: check mdout.tip5p.dif
> /home/ssa/amber10/test/tip5p
> 180,181d179
> < EKCMT = 0.2952 VIRIAL = 9.6699 VOLUME =
> 0.0001
> < Density =
> 0.
> ---------------------------------------
Don't worry about this one; it only has to do with how sander prints volume
fluctations in very short runs.
...dac
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Received on Thu Jan 28 2010 - 06:00:04 PST
