[gmx-users] Source Code for Lennard Jones Interaction

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 1 09:05:32 CET 2011

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.


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