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
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