[gmx-users] what is sigma in gromacs? the radius of a sphere or the diameter of a sphere?

[Justin Lemkul]

On 8/15/13 7:59 AM, grita wrote:
> Hi,
>
> can someone tell me exactly what the \sigma in the LJ-potential in Gromacs
> is?
>
> Is \sigma the radius of a sphere or the diameter of a sphere?
>

Neither.

http://en.wikipedia.org/wiki/Lennard-Jones_potential

-Justin

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Justin A. Lemkul, Ph.D.
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