🚀 go-pugleaf

In article <Jan.19.22.39.56.1993.23061@planchet.rutgers.edu> U53644@uicvm.uic.edu writes:

   [Although I do not share Mr. Dunphy's pessimism, I second his
   proposal empahtically... Before we can do this in more than a
   handwaving way, however, we need molecular simulation software.
   Does anyone know of any usable PD codes, or is there any interest
   in a sci.nanotech-based collaboration to produce such a beast?
   --JoSH]

There are free programs that can display collections of spheres (I
think one of them is called "Multi", and I could dig through my old
mail to find others).  A few years ago I looked for a PD program to do
the chemistry simulations and didn't find one.  Most of the
academically developed ones seem to be available for hundreds of
dollars from the Quantum Chemistry Program Exchange.  I hope the
authors receive a significant fraction of the fees; otherwise someone
is getting paid lots of money to do the job of an anonymous FTP
server.  It might be worth checking the archives of the comptutational
chemistry mailing list that was announced here a while ago to see if I
missed anything, or if something has come out since I stopped watching.

I would be interested in working on such a program if I were done with
my thesis.  From the MM2 and MM3 papers it doesn't look too hard,
assuming that no chemical reactions are happening in the system.  Does
anyone have any practical experience developing these?
--
Tim Freeman <tsf@cs.cmu.edu>    CompuServe ID 71045,2267 checked occasionally.
When they took the fourth amendment, I was silent because I don't deal drugs.
When they took the sixth amendment, I kept quiet because I know I'm innocent.
When they took the second amendment, I said nothing because I don't own a gun.
Now they've come for the first amendment, and I can't say anything at all.