14 Jul
2014
14 Jul
'14
8:39 p.m.
Hi everyone,
I have a question regarding the usage of automodel.make() for modelling a protein structure from known structures. Does this function include optimization methods e.g. conjugate gradients or molecular dynamics so that it will output a structure close to the native state (lowest-energy state), or do I have to call conjugate_gradients() or molecular_dynamics() explicitly after automodel.make() to do an energy minimization?
Thanks in advance.
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Li Sun
Department of Physics
University of California, San Diego