Dear Votca Users,
I have a question about the poorly sampled region in order to to
re-sampling (csg_resample) the bond potential and bond force.
I performed csg_boltzamnn for a bonded tabulated potential. The first
column is input quantity, the second column is potential, and the third
column is force.
I would like to re-sample the force after clipping poorly sampled region.
In the attached force figure (graph.gif), the force below 0.54 and above
0.58 looks like poorly sampled.
In the attached potential figure (ABbond_using_12), the potential below
0.48 looks like poorly sampled.
I am not sure whether this is the poorly sampled regions.
How do you determine the poorly sampled regions?
Thank you very much.
--
Best regards,
Changwoon Jang,
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