Among other things, pan saw fit to write:

> Are you using the linux version of gaussian98?
> http://www.gausian.com is not responding.
> 
> http://www.compuchem.com/gaussian.htm
> is about gaussian 03 W for windows, but the download link is
> void of any further mention of the software
> 
> Any clues on where/how to obtain some version of gaussian?

Yes, we have the linux/unix version of gaussian98 in my department. I can't 
tell you exactly the address you should write to, but gaussian.com was 
working yesterday, so I guess it's a temporary a temporary problem. Anyway, 
gaussian is not free, you may want to try other programs as GAMESS (I'm not 
sure whether it can output electron density data, but it's very likely)

> And,
> is it stratightforward to produce the .df3?

It's easier than it could seem. It's easy to get the density (or potential, 
or laplacian...) in a grid, then all you need is convert the ascii, 
floating-point values to the correct .df3 format.

-- 
light_source{9+9*x,1}camera{orthographic look_at(1-y)/4angle 30location
9/4-z*4}light_source{-9*z,1}union{box{.9-z.1+x clipped_by{plane{2+y-4*x
0}}}box{z-y-.1.1+z}box{-.1.1+x}box{.1z-.1}pigment{rgb<.8.2,1>}}//Jellby

Post a reply to this message