PC GAMESS/Firefly-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

you CAN use DLCs for bonds, angles, and torsions scans with Firefly.
The complete documentation will be available from our site within
a week or so, meanwhile, I've attached a couple of samples in
the hope they will be useful. Please post your questions on these samples directly to this forum.

Regards,
Alex Granovsky



On Tue Nov 4 '08, Pedro Silva wrote
-----------------------------------
>Dear Pasquale,

>You should not use DLC coordinates for a torsion PES scan. You should explicitly define your z-matrix, as in the example below:

This message contains the 2 kb attachment [ firefly_dlc_scans.rar ] Firefly sample files for scans in DLCs