equilibration &cntrl imin = 0, ntx = 1, irest = 0, ntpr = 1000, ntwr = 100000, ntwx = 5000, ntf = 1, ntc = 2, iwrap=1, ntb = 2, nstlim = 1000000, dt = 0.001, temp0 = 300.0, ntt = 3, gamma_ln = 5, ntp = 1, pres0 = 1.0, taup = 5.0, icfe=1, clambda = 0.50, ifsc=1, crgmask='', scmask='', &end