LSC-IVR &cntrl ilscivr = 1, icorf_lsc = 4, ntx = 1, irest = 0, ntb = 1, cut = 7.0, ntt = 0, temp0 = 298.15 nscm = 1, dt = 0.0002, nstlim = 10000 ntpr = 1, ntwx = 1, ntwv = 1 / &ewald skinnb=2.0 /