Dear Netters
We got a nice gift from Milan Hadoscek (in TeX: Milan Hado\v{s}\v{c}ek}.
His xvibs program will:
1. extract normal modes from G9X input.
2. create an Xmol input file for animation.
3. You now can use Xmol to see animation of normal vibrations calculated
by G9X by reading the file to Xmol (XYZ format) and clicking on
Extras, then Animation. Xmol is available from anonymous
ftp at ftp.msc.edu in /pub/xmol. Consult postings about Xmol in our
archives: 92/06/03, 92/06/12.
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Program extracts normal modes from Gaussian output file.
It writes separate files, one simple cosine trajectory for
particular normal mode. Output is in Xmol XYZ format.
(Click Animate button and enjoy!)
Compiling:
cc -o xvibs xvibs.c -lm
Running:
xvibs mymolecule.out {all|1-(3*N-6)}
Example:
g90 benzene.out (or equivalent)
xvibs benzene.out all
Output files are named benzene.{1-30}
or
xvibs benzene.out 15
for mode 15 only.
Output will be benzene.15
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Written in 1990 by Milan Hodoscek
Institute of Chemistry, Ljubljana, Slovenia
Modified for XMOL 1992 @NIH, Bethesda, MD
Bug report to: milan@helix.nih.gov
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