[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.

Mark




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