comment debug nocistrans 140 checkchirality updates 1000 permdist REDOPATHXYZ newconnect 10 3 2.0 20.0 30 0.5 COMMENT maxtsenergy 0 nebk 1.0 COMMENT nocistrans 160.0 RNA COMMENT nocistrans COMMENT setchiral dijkstra EXP comment dumpallpaths PATH 1000 0.00001 NOFRQS COMMENT endhess nohess reoptimiseendpoints edifftol 1.0D-4 maxerise 1.0D-4 1.0D0 geomdifftol 0.2 noit bfgsmin 1.0D-6 bfgssteps 100000 BFGSTS 2000 5 50 0.0005 BFGSTSPC 0.001 maxbfgs 0.1 maxstep 0.1 trad 0.2 maxmax 0.3 PUSHOPT 2.0 0.001 100 steps 100000 AMBER12 start