google-deepmind / google-deepmind/alphafold
run model relaxation only?
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- Python
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Description
Is it possible to run relaxation of calculated models without going through the whole calculation? That is, if I run calculation with the "--models_to_relax=none" option first, and later when I want to relax all the calculation structures, can I do it without doing the whole calculation with "--models_to_relax=all" option?
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