[gmx-users] gmx analyze (5.1.2) correlation function(s)

João Henriques joao.henriques.32353 at gmail.com
Fri Mar 11 15:26:44 CET 2016


Dear all,

Does gmx analyze, version 5.1.2, contain any known bug/problem that I am
not aware of? I recently moved from gromacs 4.6.7 to 5.1.2 and I seem to
have encountered an issue with the calculation and/or output of the
(auto)correlation function(s). It basically outputs all zeros on the second
column of the output xvg file, whereas when I use g_analyze 4.6.7 I get the
normal behavior, i.e. a beautiful autocorrelation function.

Thank you in advance,
Cheers,
J


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