&cntrl comp = 44.6, cut = 12, dielc = 1, drms = 0.0010, dt = 0.001, dx0 = 0.01, dxm = 0.5, extdiel = 78.5, gbsa = 1, ibelly = 0, ig = 71277, igb = 1, imin = 1, intdiel = 1.0, irest = 0, maxcyc = 1, nrespa = 1, nscm = 1000, nstlim = 10, ntave = 5000, ntb = 0, ntc = 1, ntf = 1, ntmin = 2, ntpr = 250, ntr = 0, ntrx = 1, ntt = 1, ntwe = 0, ntwr = 500, ntwx = 500, ntx = 1, offset = 0.09, pres0 = 1.0, saltcon = 0.0, scee = 1.2, scnb = 2.0, surften = 0.005, taup = 5.0, temp0 = 300.0, tempi = 0.0, tol = 0.000001, vlimit = 20.0, vrand = 0, &end &ewald dsum_tol = 1.0E-6, skinnb = 2.0, vdwmeth = 1, &end