[gmx-users] gmx_hydorder for water

[David van der Spoel]

On 05/12/15 13:48, xy21hb wrote:
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> Dear all, I would like to calculate the water tetrahedrality near a peptide by gmx_hydorder, any idea on that?
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> I wonder how to select sgang1 and sgang2, I tried giving all two outputs for -o, -or, -Spect, it can run but the results are strange. I searched the mailist, there was some answers, but the output xpm looks quite wired, and the converted eps cannot be loaded. Thanks, Yao
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As far as I know it only looks a water order in box slices, not in 
relation to an arbitrary object, i.e. peptide.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se