SEED=-3059743 n_ene=19 isampl=1 nq=1 classify pdbref einicheck=1 & rescale=2 ensembles=0 nslice=1 HAMIL_REP oneletter cxfile separate_parset & nparmset={POPSIZE} nres=14 one_letter XSWTWENGKWTWKX 0 {WEIGHTS} NT=16 replica NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 NR=1 TEMP= 400.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000 KH= 0.00 Q0=0.00000 nfile_cx=1 rec_start=101 rec_end=200 totraj=256 ./{PREFIX}_mremd_MD000 CUTOFF_UP=8.0 CUTOFF_LOW=4.0 NLEVEL=-2 PDBREF & SPLIT_BET=1 NC_FRAC_HEL=0.7 NC_FRAC_BET=0.5 NC_FRAC_PAIR=0.5 NSHIFT_PAIR=3 & CONT_PAIR=1 NC_FRAC_PAIR=0.5 RMS_PAIR=0 ./{PREFIX}.pdb