alanin_base.namd

来自「分子动力学计算程序」· NAMD 代码 · 共 18 行

NAMD
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# shared simulation options for replica exchangetimestep	1.0structure	alanin.psfcoordinates	unfolded.pdbmargin		10.0stepspercycle	100parameters	alanin.paramsexclude		scaled1-41-4scaling	0.4switching 	onswitchdist	7.0cutoff		8.0pairlistdist 	10.0

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