alanin_base.namd
来自「分子动力学计算程序」· NAMD 代码 · 共 18 行
NAMD
18 行
# 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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