automodel.get_optimize_actions() — get actions to carry out during the initial optimization

This returns a list of optimizer actions which are carried out during the initial optimization (and for loopmodel, also during loop modeling). (By default, only the trace file is written (see automodel.trace_output.) You can override this method to perform other actions (see Section 6.11) during the optimization — e.g. writing a CHARMM trajectory file using actions.charmm_trajectory().

Automatic builds 2017-02-17