[lammps-users] RESPA Question

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1

Is it possible with LAMMPS to specify two different timesteps for separate pair interactions? For instance, can I calculate an A-A non-bonded interaction every 2.0fs, but an A-B and B-B non-bonded interaction every 1.0fs? I know LAMMPS has the capability to calculate intermolecular and intramolecular interactions at separate levels using the run_style respa command, but I can’t seem to find any information about whether separate levels within a single interaction type can be specified.

Any help would be much-appreciated!

Will

2

nope - you can't separate rRESPA computations by pair style, only by distances
within a pair style (and only then for a few pair_styles that support it).

Steve