[gmx-users] gmx_hydorder for water
xy21hb at 163.com
Sat Dec 5 13:48:51 CET 2015
Dear all, I would like to calculate the water tetrahedrality near a peptide by gmx_hydorder, any idea on that?
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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