schrodinger.application.desmond.replica_exchange_review module

schrodinger.application.desmond.replica_exchange_review.line_match_final_log(line)

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

schrodinger.application.desmond.replica_exchange_review.read_data_from_log_file(logfile, cfg_map)