I'm setting up Jmol to read Amber topology / coordinate files. But I've run
into an odd snag. It seems the coordinate files that I have has one too many
coordinates. I'll send links to the files if necessary, but does it make
sense that a topology file reading
%FLAG
POINTERS
%FORMAT(10I8)
37300 16 29669 6234 12927 6917 28267 6499
0 0
87674 9013 6234 6917 6499 47 101 41
31 1
0 0 0 0 0 0 0 1
24 0
0
has a coordinate file that contains blocks of 37301 * 3 coordinates?
Does the last coordinate somehow mean something other than an atom? Do these
parameters somehow indicate that an additional coordinate is present?
Thanks,
Bob Hanson
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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Received on Wed Oct 01 2008 - 05:09:21 PDT
