[gmx-users] g_wham and hist question

ANDRES ADOLFO ORTEGA GUERRERO andres.ortega at correounivalle.edu.co
Fri Jul 11 19:17:12 CEST 2014

Hi Dear Gromacs User,
I use g_wham -it tpr-files.dat -if pullf-files.dat -o -hist -unit kCal
for a PMF calculation of a molecule permeating an ion channel, i use the
5-rc1 and a flat bottom potential , with 63 windows, in the terminal said
that i should look the poor sampling between z=3.38 and z=3.42 , and i use

i have a problem with the histogram.xvg. because just appear 1 histogram ,
should be 63 ? what could be the problem?

Thank you in advance

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