[gmx-users] g_wham error

Justin A. Lemkul jalemkul at vt.edu
Fri Sep 11 12:19:13 CEST 2009

Ragnarok sdf wrote:
> While trying to analyse my several windows with g_wham the following error
> appears :
> Fatal error:
> Pull geometry direction not supported
> my entry files consist on the several px.xvg listed in a .dat entry file and
> the several .tpr from each of the simulations also listed in a tpr.dat file

Right, but error is coming from the .tpr files, themselves, sort of. 
Unfortunately g_wham only works when you've specified "pull_geometry = distance" 
in the .mdp file.  Maybe this should be documented somewhere?  g_wham -h does 
not make this clear.


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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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