[["md for big water box (from Dave Case, comments by Lee-Ping)"], ["cntrl", "ewald"], [{"imin": "0", "maxcyc": "500", "ntmin": "2", "nscm": "0", "ntxo": "2", "dx0": "0.1", "ntpr": "5000", "ntwx": "50000", "ntwr": "50000", "cut": "9.", "ioutfm": "1", "ntx": "5", "irest": "1", "tempi": "300.", "temp0": "300.", "ntt": "3", "gamma_ln": "5.", "ntb": "1", "ntp": "0", "ntc": "2", "ntf": "2", "tol": "0.0000001", "taup": "1.0", "nstlim": "500000000", "ig": "-1", "ntr": "0", "restraint_wt": "0.1", "restraintmask": "'!:WAT,NA&!@H='"}, {"dsum_tol": "0.000001"}], [[], []]]