1L2Y clustering
-nres=22 n_ene=18 ncut=0 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
+nres=22 ncut=0 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=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
-SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 einicheck=1 &
+SEED=-3059743 isampl=1 nparmset=1 nq=1 einicheck=1 &
rescale=2 ensembles=0 nslice=1 delta=0.02 refstr pdbref classify cxfile
nres=22 one_letter
XNLYIQWLKDGGPSSGRPPPSX
clustering
-nres=77 n_ene=18 ncut=0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
+nres=77 ncut=0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
iopt=1 temper=280 one_letter CONSTR_HOMOL=8
WSC=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954 &
WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000 &
clustering
-nres=77 n_ene=18 ncut=0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
+nres=77 ncut=0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
iopt=1 temper=280 one_letter CONSTR_HOMOL=8 tormode=2
WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730 &
WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000 &
isampl=1 &
SEED=-77763650 einicheck=1 rescale=2 delta=0.02 cxfile classify &
- n_ene=19 CONSTR_HOMOL=8 tormode=2 &
+ CONSTR_HOMOL=8 tormode=2 &
BOXX=78.90 BOXY=78.90 BOXZ=78.90
nres=49 one_letter
GVVDSCCRNSCSFSTLRAYCDSXXNSLRACGPALMDMLRVACPNGFNSX
1L2Y clustering
-nres=22 n_ene=18 ncut=0 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
+nres=22 ncut=0 cutoff=-58.0 pdbref rescale=2 PRINT_CART PDBOUT=1 &
iopt=1 temper=280 one_letter tormode=2
WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730 &
WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000 &
-SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 einicheck=1 tormode=2 &
+SEED=-3059743 isampl=1 nparmset=1 nq=1 einicheck=1 tormode=2 &
rescale=2 ensembles=0 nslice=1 delta=0.02 refstr pdbref classify cxfile
nres=22 one_letter
XNLYIQWLKDGGPSSGRPPPSX