equil3.in &cntrl imin = 0, nstlim = 100000, dt = 0.001000, irest = 1, ntx = 5, ntt = 3, gamma_ln=2.0, tempi = 300, temp0 = 300.0, ig = -1, ntp = 1, pres0 = 1.0, taup = 2.0, ntb = 2, ntc = 1, ntf = 1, ioutfm = 1, iwrap = 1, ntr = 1, restraint_wt = 10.000000, restraintmask='@CA,N,C | :L1@C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N1,N2,N3,N4,O1,Br1,Cl1,Cl2,H1,H2,H3,H4 | :L2@C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N1,N2,N3,N4,O1,Br1,Cl1,Cl2,H1,H2,H3,H4', ntwe = 1000, ntwx = 2000, ntpr = 10000, ntwr = 50000, icfe = 1, ifsc = 1, clambda = 0.9, scalpha = 0.5, scbeta = 12.0, timask1 = ':L1', timask2 = ':L2', scmask1 = ':L1@C12,C13,N5,O2,O3,H5,H6,H7', scmask2 = ':L2@C12,C13,S1,O2,O3,H5,H6' / &ewald /