[gmx-users] histograms

jalemkul at vt.edu jalemkul at vt.edu
Mon Jan 10 20:05:32 CET 2011


Quoting Nilesh Dhumal <ndhumal at andrew.cmu.edu>:

> Hello,
> I trying to run umbrella sampling simulation for system.
>
> To get histograms should I make pullx-files.dat with pullx.files and then
> use g_wham.
>

There is a tutorial that explains all of this:

http://www.gromacs.org/Documentation/Tutorials#Pull_Code_and_Umbrella_Sampling

-Justin

>
> Nilesh
>
>
>
>
>
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