[gmx-users] Choosing more PMF-windows

[Justin A. Lemkul]

Shay Teaching wrote:
> Dear GROMACS users,
> 
> I have recently completed running several PMF-windows.
> After viewing the histrogram file it seems that I need better sampling 
> at some positions, but the histogram file starts at z=0.
> Is there any way to prevent g_wham from starting at 0, and instead show 
> the real Z-coordinates of the selected-group?
> 

If it starts at zero, then it means your sampling starts at a distance of zero 
along the reaction coordinate.  If this is not what you intended, check your 
input files.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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