[gmx-users] energy autocorrelation function
Mario Fernández Pendás
mariofp77 at gmail.com
Wed Nov 11 14:41:29 CET 2015
I usually compute the ACF with the funtion g_analyze.
I hope it helps.
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.
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