DEBUG
CHECKPERM

FREEZE

NEWCONNECT 1 3 2.0 20.0 30 0.5
NEBK 10.0
DIJKSTRA EXP
ADJUSTK 5 20.0 1.03D0 0.125D0 1.0D2

EDIFFTOL  1.0D-3
GEOMDIFFTOL  0.1D0

PERMDIST

REOPTIMISEENDPOINTS
MAXERISE 1.0D-3 1.0D0
MAXBARRIER 20.0D0
MAXTSENERGY 10.0D0

PUSHOPT 0.2 0.001 100

UPDATES 100

BFGSMIN 1.0D-6
BFGSCONV 1.0D-6
BFGSSTEPS 20000


BFGSTS 1000 10 100 0.01 100
NOHESS

ENDNUMHESS
DUMPALLPATHS

MAXBFGS  0.1
MAXSTEP  0.1
TRAD     0.2
MAXMAX   0.3

STEPS 800

CUDA A
AMBER20 start