[AMBER] Tetrahedral Order Parameter Q

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From: Zafar,Muhammad Saqlain via AMBER <amber.ambermd.org>
Date: Wed, 16 Aug 2023 07:33:16 +0000

Dear Amber Users,

I want to calculate the Tetrahedral Order Parameter q of Water
I run NPT on TIP4P/EW water model and i have trajactory file eq_npt.nc and topology file wtr_1.prmtop, kindly let me know cpptraj script to calculate tetrahedral order parameter q.

I looked into AmberManual but couldn't find it.
Also how to calculate the distribution of Tetrahedral Order Parameter q of Water using cpptraj.

Regards
Saqlain

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Received on Wed Aug 16 2023 - 01:00:02 PDT