Hi MPID,
I just stepped over your message quite late, so sorry for the late reply.
You can simply generate a new set of tpr files with pull_dim= N N Y, and
use that one in g_wham. g_wham only picks the force constants and
umbrella centers from the tpr files, so you are fine with that.
Hi everyone. I ran an umbrella sampling simulation of a protein in a
membrane. I used pull_geometry=cylinder. I tried to analyze the results with
g_wham. I got this error:
Fatal error:
With pull geometry 'cylinder', expected pulling in Z direction only.
However, found dimensions [Y Y Y]
The
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