CUDA A
COMMENT DEBUG
COMMENT CUDATIME
COMMENT PERMDIST
EDIFFTOL 8D-4
GEOMDIFFTOL 0.2
COMMENT DUMPALLPATHS
COMMENT DUMPSTRUCTURES
DUMPDATA
NOFRQS
UPDATES 20 20
BFGSSTEPS 10000
BFGSMIN 1D-3
MAXBFGS 1.0
AMBER12 start