<div class="gmail_quote"><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>
Ragnarok sdf wrote:<br>
> While trying to analyse my several windows with g_wham the following error<br>
> appears :<br>
><br>
> Fatal error:<br>
> Pull geometry direction not supported<br>
><br>
> my entry files consist on the several px.xvg listed in a .dat entry file and<br>
> the several .tpr from each of the simulations also listed in a tpr.dat file<br>
><br>
<br>
Right, but error is coming from the .tpr files, themselves, sort of.<br>
Unfortunately g_wham only works when you've specified "pull_geometry = distance"<br>
in the .mdp file. Maybe this should be documented somewhere? g_wham -h does<br>
not make this clear.<br>
<br>
-Justin<br>
<br>
</blockquote><div>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?<br>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.<br>
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