On Thu, Apr 26, 2012, JAIME RUBIO MARTINEZ wrote:
> >
> > These are the results that I have when I run the vancomycin_lmod test:
> > As it can be seen, I have wrong results for the Energies.
Now I see what you are referring to. We have not be running the lmod tests
for a while, and didn't realize that something bad happened. It looks pretty
simple(!?!) and I'll try to get a bugfix assembled (if there is indeed a
simple fix).
Workaround is to use the NAB interface to lmod.
[Istvan (others): the problem occurs on "make test.lmod" in $AMBERHOME/test.]
Thanks for the report....dac
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Received on Thu Apr 26 2012 - 05:30:02 PDT
