Right. Sorry,
reset
is not the same as
center *
This is because "reset" sets the center to the center of the box
containing all the atoms, while "center *" sets it at their geometric
center.
Bob
Frieda Reichsman wrote:
BTW, there is a jump when you issue
reset
center all
why does "center all" differ from the centering in "reset"?
Frieda
///////////////////////////////////////////
Frieda Reichsman, PhD
Molecules in Motion
Interactive Molecular Structures
http://www.moleculesinmotion.com
///////////////////////////////////////////
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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