Karsten
nordhoff@imtm.de
I am a new user of FireFly. Because my registration is not activated as yet, I have neither a manual, nor any examples of input-and output files. Could anybody give a simple input file for ground state optimizations with FireFly?
Thanx (toda raba, sbassibo, whatsoever) in advance!
The reason for this somewhat premature question is, that I have written a simple input format converter for several formats (Mopac, pdb, xyz, mol). I intend to extend it for the FireFly input format prior to using the software.
CU!
karsten