[AMBER] Zeolite simulations

From: Sundar <jubilantsundar.gmail.com>
Date: Thu, 3 Jan 2019 23:06:06 -0600

I'm trying to perform simulations on zeolites (silicates and aluminates).
Had anyone ever written any tutorials for them or had performed simulations
using Amber force fields and published?

How does INTERFACE FF (https://bionanostructures.com/interface-md/) work
with Amber?
How good are the GAFF analogous parameters for zeolites?

How accurate can we model inorganic-organic interfaces in Amber?

-- 
Thanks,
Jubilant
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Received on Thu Jan 03 2019 - 21:30:03 PST
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