MPI
RIGIDINIT
RELAXFINALQUENCH
SLOPPYCONV 5.0D-3
TIGHTCONV 1.0D-3
MAXERISE 1.0D-4
DUMPINT 10
UPDATES 1000
MAXIT 20000 60000
MAXBFGS 1.0
TRACKDATA
comment --- basin hopping parallel tempering
comment BHPT Tmin Tmax exchProb
BHPT 0.2 5 0.05
comment ---
DUMPSTRUCTURES
comment DUMPQU
SAVE 5
STEPS 10 1.0
GROUPROTATION
STEP 0.1 0.0
RADIUS 999.0
AMBER9 coords.inpcrd inpcrd
