em.mdp
来自「最著名最快的分子模拟软件」· MDP 代码 · 共 25 行
MDP
25 行
;; User spoel (236); Wed Nov 3 17:12:44 1993; Input file;cpp = /usr/bin/cppdefine = -DFLEX_SPCconstraints = noneintegrator = steepnsteps = 100;; Energy minimizing stuff;emtol = 2000emstep = 0.01nstcomm = 1ns_type = gridrlist = 1rcoulomb = 1.0rvdw = 1.0Tcoupl = noPcoupl = nogen_vel = no
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