ctest/dfa/dfa_wham.inp

   1 SEED=-3059743          isampl=1  nparmset=1 nq=1                 einicheck=1   &
   2 rescale=2 ensembles=0 cxfile delta=0.02 nslice=1 CONSTR_HOMOL=8
   3 WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
   4 nres=77 one_letter
   5 XRGPSNGQSVLENSVQVKETSPRRVSVDPQTGEFVVFDRTLGDVYHGHVRAWKDLTSDMQNALVRGGYVDRKGNPKX
   6 0
   7 HOMOL_DIST=0.5 HOMOL_ANGLE=1.0 HOMOL_THETA=1.0 HOMOL_SCD=1.0 DIST_CUT=15.0     &
   8 HOMOL_NSET=1 READ2SIGMA
   9 model01.pdb
  10 model02.pdb
  11 model03.pdb
  12 model04.pdb
  13 model05.pdb
  14 model06.pdb
  15 model07.pdb
  16 model08.pdb
  17 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
  18 WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
  19 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
  20 WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
  21 WDFAD=1.5 WDFAT=0.75 WDFAN=1.4 WDFAB=1.0                                       &
  22 CUTOFF=7.00000 WCORR4=0.00000
  23
  24 NT=8 replica read_iset
  25 NR=1  TEMP= 240.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  26 KH= 0.0   Q0= 0.0
  27 NR=1  TEMP= 260.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  28 KH= 0.0   Q0= 0.0
  29 NR=1  TEMP= 280.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  30 KH= 0.0   Q0= 0.0
  31 NR=1  TEMP= 300.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  32 KH= 0.0   Q0= 0.0
  33 NR=1  TEMP= 320.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  34 KH= 0.0   Q0= 0.0
  35 NR=1  TEMP= 340.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  36 KH= 0.0   Q0= 0.0
  37 NR=1  TEMP= 360.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  38 KH= 0.0   Q0= 0.0
  39 NR=1  TEMP= 390.0 FI=  0.00000   0.00000   0.00000   0.00000   0.00000
  40 KH= 0.0   Q0= 0.0
  41 nfile_cx=1 rec_start=2 rec_end=200 totraj=8
  42 remd_dfa_MD000