dear Mark thanks for your attention. is this mdp file true for energy minimization (100 steps by steepest descent and 100 steps by* conjugate gradient*)?
define = -DFLEX_SPC constraints = none *integrator = steep nsteps = 100 integrator = cg nsteps = 100* emtol = 2000 emstep = 0.01 nstcomm = 1 ns_type = grid rlist = 1 rcoulomb = 1.0 rvdw = 1.0 Tcoupl = no Pcoupl = no gen_vel = no
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