[gmx-users] problem with WHAM

Jochen Hub jhub at gwdg.de
Wed Dec 19 10:55:47 CET 2007

Farzad Molani wrote:
> Hi
> I want to compute PMF between two amines and i create input file with 
> Umbrella sampling unfortunetly when I want to use g_wham i get error I 
> do'nt know what do i  please help me
> Thanks in advance
You will have to report at least the error message if you want us to 
help you. And maybe the command line and the head of your pdo file.

Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de

More information about the gromacs.org_gmx-users mailing list