Package schrodinger :: Package application :: Package desmond :: Module replica_exchange_review
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Module replica_exchange_review

Functions [hide private]
 
line_match_final_log(line)
 
accept_reject_parse(input, replica_idx, Ind_time)
Parse log file for REMDrelated lines
 
read_data_from_log_file(logfile, cfg_map)
Function Details [hide private]

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