Module replica_exchange_review

Functions

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)

Variables

__package__ = 'schrodinger.application.desmond'

Function Details

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