COMMENT ****** POTENTIAL NTIP 4 COMMENT ****** GENERAL CENTRE EDIFF 1.D-3 SLOPPYCONV 1.D-3 TIGHTCONV 1.D-3 SAVE 0 MAXIT 1.D4 1.D4 FIXBOTH RANSEED 100 COMMENT ****** SIZE RADIUS 1.D1 MAXBFGS 1.D0 MAXERISE 1.D-4 TARGET -391.0233D0 COMMENT ****** RUN STEPS 2.D6 STEP 0.D0 0.D0 1.64D0 TEMPERATURE 6.65D0 COMMENT ****** COMMENTED?? COMMENT PERMDIST COMMENT RBSYM COMMENT TARGET -628.3734D0 COMMENT TARGET -872.9887D0 COMMENT RATIO -1 -1 COMMENT BENCHMARK 1.D4 COMMENT TBP -391.2 0.5 200 0.003 0.001 20