PC GAMESS-related discussion club

Alex Granovsky
gran@classic.chem.msu.su

>1.HOW TO MAKE INPUT FILE?
Using plain text editor like notepad.
You can use built in editors of Windows Commander or FAR, etc...

>2.HOW TO RUN IT?
The simplest way is just rename it to "input",
then open command line window and run PC GAMESS.
You can use output redirection or PC GAMESS command line options
(see the command line documentation) to save output to the file.

>3.I AM INTERESTED IN OPTIMIZATION AND VIBRATIONAL FREQUENCY CALCULATIONS,WHAT SHOULD BE THE INPUT FILE STRUCTURE FOR THESE CALCULATIONS?

See the provided sample input files and read the manuals.

>4.HOW TO VIEW/READ THE OUTPUT?

Using plain text viewers or editors. Or, you can use some
visualization software like ChemCraft, etc...

Regards,
Alex


On Sat Mar 3 '07, neeraj misra wrote
------------------------------------
>I HAVE JUST DOWNLOADED PCGAMESS AND ITS .EXE BUT HOW TO START USING IT.I HAVE THE FOLLOWING QUESTIONS.
>1.HOW TO MAKE INPUT FILE?
>2.HOW TO RUN IT?
>3.I AM INTERESTED IN OPTIMIZATION AND VIBRATIONAL FREQUENCY CALCULATIONS,WHAT SHOULD BE THE INPUT FILE STRUCTURE FOR THESE CALCULATIONS?
>4.HOW TO VIEW/READ THE OUTPUT?

>            I SHALL BE VERY THANKFUL IF SOMEONE ANSWERS THESE QUESTIONS.
>