pull = constant_force
pull_geometry = direction; simple distance increase
pull_dim = N N Y
pull_start = yes ; define initial COM distance > 0
pull_ngroups = 1
pull_group0 = DPPC
pull_group1 = X
;pull_rate1 = 0.001 ; 0.01 nm per ps = 10 nm per ns
pull_vec1 = 0.0 0.0 -1.0 ; 0.01 nm per ps = 10 nm per ns
pull_k1 = 1000 ; kJ mol^-1 nm^-2
常力拉伸中,力常数单位kJ mol^-1 nm^-2是力的单位吗?和N如何对应?
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