COMMENT DEBUG
SLOPPYCONV 1.0D-4
TIGHTCONV 1.0D-5
MAXERISE 1.0D-4
DUMPINT 100
UPDATES 1000
MAXIT 20000 60000
MAXBFGS 1.0
CENTRE
TRACKDATA
GROUPROTATION 1
DUMPSTRUCTURES
TEMPERATURE 1.5
SAVE 100
STEPS 5000 1.0
STEP 0.0
RADIUS 300
AMBER9 coords.inpcrd inpcrd
