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MODELLER users -
I have succeeded through several rounds of template-based and loop
modeling with MODELLER (v6.1).
I would now like use my last model structure to build an all-atom model
(include Hs), eliminate all template-based restraints, and try a round
of simulated annealing with the other CHARMM parameters turned on. Can
anyone show me an example of how to set this up? Any precautions for
CHARMM settings?
Many thanks,
Tom Duncan
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Thomas M Duncan
Research Associate Professor
Dept Biochemistry & Molecular Biology
Institute for Human Performance, Rm 4311
SUNY Upstate Medical University
750 E Adams St
Syracuse, NY 13210