[gmx-users] fullerene crashes during energy minimization

[soumadwip ghosh]

Are you sure you are using the correct force field? Did you ignore any
warning given by grompp before doing mdrun for energy minimization?
Try altering the box size/ shape in the configuration file or and/or
reduce the time step. If the problem still persists may be there is
something wrong in the fullerene topology.

Cheers
Soumadwip