Re: Lennard-Jones Potential

From: Kowsar Khajeh (khajeh.k.2005_at_gmail.com)
Date: Sat Feb 23 2019 - 11:47:11 CST

Hello
Based on my experience, you can calculate the force and energy based on the
new equation for lennard-jons potential.
After that use "Tabulated nonbonded interaction parameters" feature in namd.

This is my understanding. I hope this helps.

Best regards
Kosar

On Sat, Feb 23, 2019, 9:05 PM McGuire, Kelly <mcg05004_at_byui.edu wrote:

> I found some literature where the Lennard-Jones potential was modified
> (another term was added) to model certain atom types better. Is there a
> way to modify or add a term to the Lennard-Jones potential in NAMD?
>
>
> *Kelly L. McGuire*
>
> *PhD Candidate*
>
> *Biophysics*
>
> *Department of Physiology and Developmental Biology*
>
> *Brigham Young University*
>
> *LSB 3050*
>
> *Provo, UT 84602*
>
>
>

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