Re: [AMBER] Lmode_in_Amber11

From: case <>
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


AMBER mailing list
Received on Wed Apr 25 2012 - 14:30:03 PDT
Custom Search