On Wed, Apr 25, 2012, JAIME RUBIO MARTINEZ wrote:
>
> I am trying to run the tests for lmode in amber11 and after many
> different approaches: I could not get the correct results.
>
> 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.
Can you say what compiler and OS you are using (including compiler version)?
I don't recall seeing results where all energies are zero. So, we need to
figure out more about your computing environment, or how to reproduce the
error.
....dac
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Received on Wed Apr 25 2012 - 14:30:03 PDT
