log.none-charmm-a
2e3e5d8761bblammm-master-deprecated

log.none-charmm-a
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			Step Temp E_pair E_mol TotEng Press
			0 0 0 20.786113 20.786113 0
			1 228.5939 0 17.215876 20.622851 155.74058
			--
			Step Temp E_pair E_mol TotEng Press
			0 228.5939 0 17.215876 20.622851 155.74058
			1 755.44844 0 8.9924615 20.251703 514.68556
			--
			Step Temp E_pair E_mol TotEng Press
			1 228.5939 0 17.215876 20.622851 155.74058
			2 755.44844 0 8.9924615 20.251703 514.68556