GROMACS version: 2021.2
GROMACS modification: Yes/No
Hi to all!
I would like to know how to deal with a problem due to periodic molecule=yes
I have a graphite sheet where there are bonds, so I used the mentioned parameter in the .mdp file.
But when trying to calculate the radial distribution function I got inconsistent shift errors.
Does anyone know how to solve this problem?
Thanks for your attention.