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
--
========================================
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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