[gmx-users] Groove width

[David van der Spoel]

Den 2018-06-02 kl. 11:06, skrev spss4 at iacs.res.in:
> Hi all
> I am doing simulation of DNA molecule. I want to calculate groove width of
> DNA in GROMACS. How to do this? Someone please help.
> 
> Thanks
> Sunipa
Just out of curiosity, what does that tell you? I understand it may be 
interesting for structure prediction or qualitative structure 
comparisons, but what chemistry is encoded in the groove width?

-- 
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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