GROMACS version: 2019.2
GROMACS modification: No
Hello,
I’ve been using gmx insert-molecules to create initial configurations for simulations, however, the generated configurations always gives the following error for minimization:
Fatal error:
There are inconsistent shifts over periodic boundaries in a molecule type
consisting of 14 atoms. The longest distance involved in such interactions is
4.517 nm which is above half the box length. Either you have excessively large
distances between atoms in bonded interactions or your system is exploding.
Is there a way I can generate better configurations or figure out what the problem could be?