TEMPERATURE 0: 300 TEMPERATURE 1: 378 TEMPERATURE 2: 476 TEMPERATURE 3: 600 SPAWNING output/fold_alanin.job0.0.log.nrc on cn13 SPAWNING output/fold_alanin.job0.1.log.nrc on cn14 SPAWNING output/fold_alanin.job0.2.log.nrc on cn15 SPAWNING output/fold_alanin.job0.3.log.nrc on cn16 starting replica 2 sock6 172.21.1.15 54397 starting replica 1 sock20 172.21.1.14 44823 starting replica 3 sock22 172.21.1.16 57705 starting replica 0 sock23 172.21.1.13 38037 SERVER: cd /data/liuyz/replica-parallel/example; pwd SERVER: replica_push temperature NEWTEMP SERVER: set base_seed 92698 SERVER: set job_output_root output/fold_alanin.job0 SERVER: proc save_callback {labels values} { global saved_labels saved_values set saved_labels $labels set saved_values $values } callback save_callback proc save_array {} { global saved_labels saved_values saved_array foreach label $saved_labels value $saved_values { set saved_array($label) $value } } seed [expr int(0*srand($base_seed + 100*$replica_id) + 100000*rand())] langevin on langevinDamping 10.0 langevinTemp $NEWTEMP outputname $job_output_root.$replica_id SERVER: temperature $NEWTEMP SERVER: outputEnergies 100 SERVER: dcdFreq 10000 SERVER: source alanin_base.namd; run 0; save_array SERVER: expr $saved_array(TEMP) SERVER: expr $saved_array(TOTAL) - $saved_array(KINETIC) SERVER: run 1000; save_array