comment DEBUG

CONCUTABS 0.05
QCIRESET 500
QCI 1.D-3 1.0 1.0 14.0 0.0 2259 0 300000 2000 400000 1.0 1.5
KINT 15.0
CHECKREP 100 1.25
comment QCIDOBACKALL
comment
QCIIMAGE 0.5 1.5 5 20 1 12 20
QCIADJUSTK 5 10.0 1.01 1.0 40.0
INTSPRINGACTIVE
QCILPERMDIST 151 1.2D0
QCIMAXACTIVE 2259
QCICYCLES 1.0 1000
INTFREEZE 0.1D0 5
MAXCON 10
QCICONCUT 100.0

comment QCISTOP

RIGIDINIT AACONVERGENCE
UPDATES 1500
NEWCONNECT 5 3 2.0 20.0 30 0.5
NEWNEB 10 100 0.001
MAXIMFACTOR 1.0
NEBK 1.0D0
ADJUSTK 5 5.0 1.03D0
NOCISTRANS  
USEDIAG 2
CHECKCHIRALITY
DIJKSTRA EXP
DUMPALLPATHS
comment DUMPSP
comment DUMPDATA
comment DUMPNEBXYZ 100
REOPTIMISEENDPOINTS
EDIFFTOL  1.0D-4
MAXERISE 1.0D-4 1.0D0
GEOMDIFFTOL  0.1D0
BFGSTS 1000 20 200 0.01 100
BFGSMIN 1.0D-6
NOHESS
PERMDIST
MAXSTEP  0.1
TRAD     0.2
MAXMAX   0.3
BFGSCONV 1.0D-6
PUSHOFF 0.1
STEPS 10000
BFGSSTEPS 60000
MAXBFGS 0.1
AMBER12 start 
