Loading OPTIM's min.data.info files into PATHSAMPLE
Revision as of 14:15, 25 May 2011 by import>Ss2029
Input files:
WORK/GMIN/coord.1 to coord.N - N minima generated by GMIN + coords.inpcrd, coords.prmtop, perm.allow, min.in + odata, the optim input file
Listing of odata used with Amber OPTIM (exec A9OPTIM)
DEBUG UPDATES 6000 DUMPDATA ENDHESS MAXERISE 1.0D-4 1.0D0 BFGSMIN 1.0D-6 BFGSSTEPS 1000 MAXBFGS 0.2 NAB start POINTS