Dear Votca,
I have a simple curious question. For the several bead types, ibi
method do not seem to match all reference RDFs and derived RDFs. Here is
the question. Can potentials from different steps be used? For example, in
step_040, A type to A type RDFs have the best match between reference RDF
and iterative RDF. In step_095, B type to B type RDFs have the best match,
etc.
Therefore, can I use the A-A potential from step_040 and the B-B potential
from step_095? Otherwise, can I always use all the potentials from the same
steps?
Thank you.
Best regards,
Changwoon Jang,
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