[gmx-users] gmx_order for water

xy21hb xy21hb at 163.com
Fri Dec 4 16:20:01 CET 2015

Dear all,

I would like to calculate the water tetrahedrality by gmx_order,
any idea on that? The manual does not say much about -Sg, -Sk, Sgsl, ...
I searched the mailist, there was some answers, but the output for the -Sg are about 0.01, not matching the literature value of ~0.5.



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