Re: [AMBER] Initial configuration of ADP and ion simulation using AMBER.

From: Pengfei Li <>
Date: Tue, 12 Jun 2018 15:52:30 -0400

Hi Abhilash,

> From your experience what will be the profit of using a hybrid model.

A hybrid model will only allows the coordination bonds with nonbonded model representation move during the simulation. I am not an expert in ATP chemistry, you can decide which kind of model to be used for your simulations.

AMBER mailing list
Received on Tue Jun 12 2018 - 13:00:02 PDT
Custom Search