[gmx-users] energy autocorrelation function
Mario Fernández Pendás
mariofp77 at gmail.com
Wed Nov 11 14:41:29 CET 2015
Dear Vitaly,
I usually compute the ACF with the funtion g_analyze.
I hope it helps.
Cheers,
Mario
2015-11-11 14:26 GMT+01:00 Vitaly V. Chaban <vvchaban at gmail.com>:
> I compute the energy ACF by using
>
> g_energy_mpi -fluc -corr
>
> However, no ACF is present in the output. Only energy.xvg is created with
> one column of data, which are obviously not ACF.
>
> The version is 5.0.4.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>
More information about the gromacs.org_gmx-users
mailing list