vandreichev / Replica_Exchange

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Replica_Exchange

! replica variables set freq = 10000 set name = rex_280_400 set ntotp = 1000000 set printstep = 1000 set lstep = 0.001 set temp = 280 set dt = 10 repd exch nrep 13 freq @freq UNIT 17 - temp 280 temp 290 temp 300 temp 310 temp 320 temp 330 temp 340 temp 350 temp 360 temp 370 temp 380 temp 390 temp 400 open write unit 17 card name @{name}_trex.log open write unit 1 card name @{name}_trex.out outu 1