Mdp parameters for non-bonded interaction using the AMBER force field

[dbischoff]

Hey,

@Eduardneu

Doing some further research a came across this website that explained how to choose the appropriate cutoff distance. For the AMBER force field, it is 10 Å or 1 nm. The cutoff value depends on the cutoff which was used during the parametrization of the force field. As stated in the primary literature ff99SB, ff14SB , ff19SB and lipids21 were all parameterized using a cutoff value of 10 Å or 1 nm, respectively.

In case you are working with ff14SB, I think that one uses 8 Å cutoff for non-bonded interactions:
“Nonbonded interactions were calculated directly up to 8 Å.” from the ff14SB publication.

Please correct me if I am missing something.

Regards
Daniel