1cgh: 1ps MD with restraints on protein &cntrl imin = 0, irest = 0, ntx = 1, ntb = 1, cut = 10, ntr = 1, ntc = 2, ntf = 2, tempi = 0.0, temp0 = 300.0, ntt = 3, gamma_ln = 1.0, nstlim = 5000, dt = 0.002 ntpr = 100, ntwx = 100, ntwr = 1000 / Keep protein fixed with weak restraints 10.0 RES 1 228 END END