RIGIDINIT
DEBUG
SLOPPYCONV 5.0D-3
TIGHTCONV 1.0D-3
MAXERISE 1.0D-4
DUMPINT 10
DUMPQU
UPDATES 1000
MAXIT 20000 60000
MAXBFGS 1.0
COMMENT CENTRE
TRACKDATA
HBONDMATRIX donors_acceptors.dat hbond_residues.dat
GROUPROTATION 1 5749 
DUMPSTRUCTURES
TEMPERATURE 0.9
SAVE 10
STEPS 5 1.0
STEP 0.0
RADIUS 300
AMBER9 coords.inpcrd inpcrd
