Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re^2: Adding the coordinates from the first Optimization run to the next calculation.....

Siddheshwar Chopra

Dear Luca,
First of all many thanks for taking pains to make these files and helping me in understanding. Please clarify the following:
1) What does IFDMOD=2 STRICT=.T. mean in $ZMAT?
2) I would be grateful if you could send me the input file which demonstrate how to use the coordinates of PREVIOUS run in the future run. I read the PUNCH, IRCDATA files, but would appreciate if you could show me how to use their outputs in the further runs.


On Thu Dec 27 '12 9:12pm, Luca Maidich wrote
>I forgot the attachment. Sorry.

[ Previous ] [ Next ] [ Index ]           Sat Dec 29 '12 5:15pm
[ Reply ] [ Edit ] [ Delete ]           This message read 760 times