write COORD "xxx.mol"
On Fri, Oct 25, 2013 at 1:27 PM, Jenheta da silva <[email protected]> wrote:
> Hello all,
>
> We are trying to write (file, console, etc) the XYZ coordinates of a
> molecule
> after a particular rotation is applied. All our trials ended up with the
> original XYZ values. Does anyone has a hint to shed
> some light on this matter ? Thank you,
>
> Best,
> Jen
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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Free Intel webinars can help you accelerate application performance.
Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from
the latest Intel processors and coprocessors. See abstracts and register >
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