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.
-Justin
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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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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