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From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Jan 13 2010 - 09:19:16 CST
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On Wed, 2010-01-13 at 15:28 +0100, MyLinkka wrote:
> Hello, Axel,
hello ting,
> Will there be a guessimpropers function in this plugin?
no. never.
> I didn't find it in v1.1 and neither in the todo list in README
please think about it for a little bit, and then
you should realize that impropers always have to
be given explicitly, or would at least need very
special heuristics for specific cases.
> Thanks for making this useful tool!
you're most welcome. it has been fun writing it.
i only wish i had more time for working on it. :-(
there is still so much that could be done.
cheers,
axel.
> Ting
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
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