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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.

Ray

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?
Best


--
Hosein Geraili Daronkola
M.Sc.Graduated of physical chemistry
Physical Chemistry,
Department of Chemistry,
The Sharif University of Technology.
geraili_hosein@...7110...



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