! use readrates to read a rate matrix directly and ignore ts.data and min.data
! READRATES 79

NATOMS          79
SYSTEM          AX
CONNECTIONS     1
PERTURB        0.40
GEOMDIFFTOL    0.1
ITOL           0.1D0
SEED           1
EXEC           /sharedscratch/wales/LJ38.2010/OPTIM

CYCLES 0
CPUS 1
DEBUG
DIRECTION AB

! CV 0.000001 0.01 0.0001

! NGT 0 T 
! ALLMFPT

! NGTSTARTMIN 556

! OBSCYCLE 1.0 0.7 50

! NGT 0 T 
! RATESCYCLE 0.025 0.03 

TEMPERATURE 1.0
WAITPDF
! ! uncomment for full printing of FPT analysis from all sources to sinks
! WAITPDFPRINT
WAITPDFTEMPS 1.0
! ! we should get the same answer if BOTH the following lines are uncommented
! ! when they are commented we use the vibrational columns in min.data and ts.data and PLANCK is not used
! ! GMIN can put the right value in min.data to give agreement with these alternative formulations when
! ! min.data and ts.data contain free energies.
FREEENERGY
PLANCK 1.5997D-13

