[gmx-users] Wrong profile obtained in umbrella sampling tutorial

Victor Rosas Garcia rosas.victor at gmail.com
Tue Nov 18 16:58:49 CET 2014

Hello everybody,

I have followed Justin Lemkul's tutorial on umbrella sampling, but
when I do the data analysis, my energy profile looks wrong.

Please see the profile:


and the histogram:


I would be grateful on any pointers about how to start diagnosing what
is wrong.  I am using Gromacs 4.5.4 under linux.

yours truly


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