[gmx-users] Regarding calculating energy autocorrelation function
mark.j.abraham at gmail.com
Thu May 15 17:36:42 CEST 2014
On Thu, May 15, 2014 at 8:04 AM, ravikumarvenkatraman <
ravikumarvenkatraman at gmail.com> wrote:
> Dear Gromacs user's,
> Could anybody tell me how to
> calculate energy autocorrelation function using Gromacs. I need it to take
> statistically uncorrelated snapshots for further calculations or somebody
> has done the same using some other method that is available in gromacs will
> also suffice.
Chapter 8 of the manual is your friend for these kinds of questions.
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