Siddheshwar Chopra
sidhusai@gmail.com
Regards,
On Fri Jan 4 '13 7:07pm, Solntsev Pasha wrote
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>Did you try babel convertor?
>babel -ixyz filename.xyz -oinp filename.inp
>Pavel.
>
>
>On Fri Jan 4 '13 6:08pm, Karsten wrote
>--------------------------------------
>>Hi,
>>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
>>
>>