Will vdw cutoffs in the mdp file affect my user-defined interactions?

User discussions
,
1

GROMACS version: 2021.X
GROMACS modification: No

Say I define a series of custom Lennard-Jones potentials in my itp, using the “[ pairs ]” section.
Then, in my mdp file, I add the following:

vdw_type = cutoff
vdw-modifier = Potential-shift-verlet
rvdw = 1.1

Will my custom [ pairs ] potentials also be affected by the vdw modifications in the mdp?

Thanks!

2

Hi,
I think that the mdp setting acts on the nonbonded interactions, not on the pairs interaction.
It is always good to check new implement parameters and settting using a simplify case
Best regards
Alessandra