Re: Lennard-Jones and Electrostatic Forces and Energies

From: Brian Radak (brian.radak.accts_at_gmail.com)
Date: Tue Oct 27 2015 - 08:50:27 CDT

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A good place to start is ComputeNonbondedUtil. If you are using FEP/TI,
then the LJ terms for alchemical atoms are computed separately in
ComputeNonbondedFEP/ComputeNonbondedTI.

Good luck,
Brian

On 10/26/2015 01:54 PM, Kostas Malavazos wrote:
> Dear NAMD users,
>
> Where the L-J and Electrostatics Forces are implemented in the source
> code?
>
> Thanks in regards,
> Kostas Malavazos

-- 
Brian Radak
Postdoctoral Scholar
Gordon Center for Integrative Science, W323A
Department of Biochemistry & Molecular Biology
University of Chicago
929 E. 57th St.
Chicago, IL 60637-1454
Tel: 773/834-2812
email: radak_at_uchicago.edu

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