> > > 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 > > I could not find it in g_wham -h. So now i only need to change from "pull_geometry = direction" to "pull_geometry = distance"? Is the outcome going to be the same? Do I need to include the first simulation in the g_wham analysis? By first simulation I mean the one I used to separate the dimers and not the ones I have simulated at each starting distance obatined from withing the previous one.
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