[gmx-developers] LJ interaction
Mark.Abraham at anu.edu.au
Mon Aug 14 07:12:56 CEST 2006
Chenyue Xing wrote:
> Thank you David.
> But if I want to read the part that really computes the LJ interaction
> between 2 atoms, which code should I look into?
Nonbonded interactions are computed group-wise in (normally) optimized
assembly language routines that you can find in gmxlib/nonbonded and
subdirectories. This is not for the faint of heart. You will have a much
better chance at understanding the flow of the assembly routines, if you
understand the flow of the functions in
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