[AMBER] Problem with water molecules angle in MD simulation

From: Zafar,Muhammad Saqlain via AMBER <amber.ambermd.org>
Date: Tue, 5 Sep 2023 05:50:16 +0000

Hello Amber users,

I am using TIP4P/EW water model for simulation of pure water system.

In start the angle that i notice in my pdb is around 104, but when i run NPT for 100ns on TIP4P/ew water model the pdb file that i got after simulation done the average angle of my system is around 99.

How to resolve this issue or is it normal in using amber.

Regards
Saqlain
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Received on Mon Sep 04 2023 - 23:00:02 PDT
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