Subject: Polymer animations?

From: <[email-masked]>
Date: Wed, 10 Jan 2001 14:39:46 -0500 (EST)

Hi.  I've written a program to simulate the behavior of short, linear
polymer under the influence of a specialized force field I developed.
The program can easily produce a list of coordinates for all the
monomers along the chain at periodic time intervals during a
simulation.  I would like this information to make a movie of the
polymer in action under this force field.  Therefore, I'm looking for
a simple, public-domain piece of software that I can feed these
coordinates to, and will generate the corresponding graphics and play
them back as a movie.

Any suggestions?

Thanks!

Kevin

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From: Sergei Tretiak <[email-masked]>
Date: Wed, 11 Jan 2001 15:39:28 -0500 (EST)

Kevin, 

MOLDEN (http://www.cmbi.kun.nl/~schaft/molden/molden.html) will do the 
job for you. It can generate graphics GIF files for each step and play it 
like a movie, but to merge all GIFs into a single movie file you have to 
use another software.

Best,

Sergei

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From: Samantha Jenkins <[email-masked]>
Date: Wed, 10 Jan 2001 17:31:21 -0500

> |\  / \ |               Sergei Tretiak                          | / \  /|
Hello.

I am trying to optimise basis sets using LOPTCG within crytsal98 and I
am having little success. Does anyone have a working set of input files
for LOPTCG, which optimse the basis set. The code seem to work OK for
geometries and comes with example files for the geometries, but not the
basis sets.
Any simple solid would do, diamond etc. 

Thanks,

Samantha Jenkins