Dear Charles and fellows:
Our current problem at hand is that we have resolved the structure of a part of
the protein (two helices), now we want to resolve the full-length structure
while keeping the resolved part intact. So is it possible to do this, i.e.,
grouping the two helices as it is in our resolved structure, while using xplor
to calculate the structure of the termini and loops that were not present
previously. It seems that during energy minimization, atoms can be grouped
together, but during simulated annealing using "AnnealIVM", can we do the
grouping?
Thanks a lot.
Jian
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