[gmx-users] Lennard Jones interactions

Andrew Paluch apaluch at nd.edu
Fri Jun 10 20:32:33 CEST 2011


You can calculate that by hand on a calculator in a few seconds.  
There is no need to use Gromacs.

On Jun 10, 2011, at 2:27 PM, Nilesh Dhumal wrote:

> Hello,
>
> How can I calculate Lennard Jones interaction for two selected  
> atoms with
> a specific distance?
>
> I am using Gromacs 4.0.7 version.
>
> Thanks
>
> Nilesh
>
>
>
>
>
>
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