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Re: [lammps-users] hydrogen bond term of force fields
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Re: [lammps-users] hydrogen bond term of force fields

From: Ray Shan <rshan@...1795...>
Date: Sat, 25 Nov 2017 00:13:20 +0000

This is not true: many potentials have an explicit term for describing hydrogen bonds, e.g., COMPASS, PCFF/PCFF+, and ReaxFF.


On 11/15/17, 11:09 PM, "Hossein Geraili" <geraili.hsn@...24...> wrote:

Dear LAMMPS users,
I read that force fields won't use an explicit term for hydrogen bonds, but how they would consider its effects without defining terms and parameters for that?

Hosein Geraili Daronkola
M.Sc.Graduated of physical chemistry
Physical Chemistry,
Department of Chemistry,
The Sharif University of Technology.

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