Template:MDCOMBINATIONS

	Thermostat
Ensemble	Andersen	Nose-Hoover	Langevin	Multiple Andersen
NVE	MDALGO=1, ANDERSEN_PROB=0.0
	or
	MDALGO=0, SMASS=-3
NVT	MDALGO=1	MDALGO=2	MDALGO=3	MDALGO=13
	ISIF=2	ISIF=2	ISIF=2	ISIF=2
NPT	not available	not available	MDALGO=3	not available
			ISIF=3