how can I do energy minimization with position restraint. how I creat cooresponding mdp file? what should considered except what is seen in below mdp file.
define = -DPOSRES constraints = none integrator = steep 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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