[gmx-users] Source Code for Lennard Jones Interaction

[Mark Abraham]

On 1/02/2011 9:04 AM, Apoorv Kalyankar wrote:
> Hello,
>
> I was wondering where can I find the source code for the Lennard Jones
> interaction (both simple cut-off and shifted cut-off) implemented in
> GROMACS 3.3.

There is no single routine in that version or any other. Look at 
src/gmxlib/nonbonded/nb_generic.c in 4.5.3 for clues on how things work.

Mark