[gmx-users] rcoulomb, rvdw and rlist values

jkrieger at mrc-lmb.cam.ac.uk jkrieger at mrc-lmb.cam.ac.uk
Wed Dec 4 12:43:47 CET 2013


The values of these cutoffs is specific to each forcefield - it's best not
to change them if you can't justify why. It doesn't say in the original
paper where they created parmbsc0 as far as I can tell but perhaps you can
find a later paper where they do say. Good luck.

> Dear Users
> I want to use parmbsc0 force field for DNA-ligand interaction. I want some
> information about value of rcoulomb, rvdw and rlist in mdp file during
> equilibration & production steps.
> I set these values 1 nm . Is it correct?
>
> Best regards
> --
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