Find a low-energy conformation subject to restraints. &cntrl ntx = 1, irest = 0, ntb = 0, igb = 8, gbsa = 1, cut = 20, ntr = 0, ntc = 2, ntf = 2, ntt = 3, temp0 = 10.0, !Low temperature: 10K gamma_ln = 0.1, !Strong coupling to thermostat ig = -1, nstlim = 200000, dt = 0.005, nscm = 100, ntpr = 500, ntwx = 500, ntwr = 1000, nmropt = 1 !turn on restraints / &wt type='END' / !need this line DISANG=_RESTRAINTS_FILE_ END