[gmx-users] g_wham and PMF problem

Mark Abraham mark.abraham at anu.edu.au
Tue Jul 3 05:49:55 CEST 2007

> Hey All,
>     I am trying to use g_wham command to compute PMF.Can anyone please let
> me know how to use that command?

Well there's g_wham -h and the section on WHAMin the manual...

> When I try giving the input files sequentially like
> g_wham -o PMF.XVG -hist pull1.pdo pull2.pdo pull3.pdo,
>  there is an error message saying, that it is not a valid input file
> format.

Please be specific about the error message and the file that caused it.
Computers are precise, and you should be also in describing their
responses to your inputs.


More information about the gromacs.org_gmx-users mailing list