Hi votca users, I am currently working on the tutorial for propane. In *propane/Atomistic*, there is file, fmatch.xml, which I believe needs to be converted to dist.xml by removing all the fmatch options, to create file to generate target distribution using csg_stat. However, my question is in the bonded part of the xml file. Why is the max for the bonded set to be 0.18 nm; and later in the ibi, the table for bond (table_b1.xvg) reaches to 0.3 nm (not 0.18 nm)? Same for the non bonded also (why ibi has max to be 1.36 nm (settings.xml); and in dist.xml has max is 2.33 nm). Moreover, what does the bonded part in the dist.xml do for running the ibi? Thank you.
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