Re: [AMBER] Lmode_in_Amber11

From: case <case.biomaps.rutgers.edu>
Date: Wed, 25 Apr 2012 17:25:47 -0400

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
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