All,

What is the reference point for zero for compute group/group’s interaction energy? Is it dependent on the force field in use?

Thanks,

Will

All,

What is the reference point for zero for compute group/group’s interaction energy? Is it dependent on the force field in use?

Thanks,

Will

All,

What is the reference point for zero for compute group/group’s interaction energy? Is it dependent on the force field in use?

zero means zero force or zero potential energy depending on which output you are looking at. for that, compute group/group applies the potential energy function as described in the documentation for the corresponding pair styles and sums over all pairs as they are listed in the neighbor list and selected by the two groups of the compute command.

axel.