schrodinger.application.desmond.replica_exchange_review module¶
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schrodinger.application.desmond.replica_exchange_review.
line_match_final_log
(line)¶
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schrodinger.application.desmond.replica_exchange_review.
accept_reject_parse
(input, replica_idx, Ind_time)¶ Parse log file for REMDrelated lines
Parameters: - replica_idx – a list of replicas
- Ind_time – a list containing 2-tupples Each 2-tupple will contain a time and a list of indecies between which the exchange occured
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schrodinger.application.desmond.replica_exchange_review.
read_data_from_log_file
(logfile, cfg_map)¶