nres=22 n_ene=18 ncut=1 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
iopt=1 temper=280 one_letter
WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
-WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 &
CUTOFF=7.00000 WCORR4=0.00000
XNLYIQWLKDGGPSSGRPPPSX
0
WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
-WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000 &
WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25 &
CUTOFF=7.00000 WCORR4=0.00000
-NT=20 replica read_iset
-NR=1 TEMP= 200.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
-NR=1 TEMP= 210.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
-NR=1 TEMP= 220.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
-NR=1 TEMP= 230.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
+NT=8 replica read_iset
NR=1 TEMP= 240.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 250.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 260.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 270.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 280.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 290.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 300.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 310.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 320.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 330.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 340.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 350.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 360.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-NR=1 TEMP= 370.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
-NR=1 TEMP= 380.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
-KH= 0.0 Q0= 0.0
NR=1 TEMP= 390.0 FI= 0.00000 0.00000 0.00000 0.00000 0.00000
KH= 0.0 Q0= 0.0
-nfile_cx=1 rec_start=401 rec_end=500 totraj=40
-1L2Y_MD000
+nfile_cx=1 rec_start=11 rec_end=200 totraj=8
+1L2Y_remd_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