[gmx-users] Issues with energy minimization of a membrane protein

[Peter Kroon]

"Maximum force     =            inf on atom 3999"
is the hint Gromacs gave you. This means that atom 3999 (and possibly more) have very bad overlaps. This is backed up by your LJ energy being very high.
Use VMD (or something similar) to inspect that atom and it's surrounding.

Peter

On 16-09-19 11:43, Prasanth G, Research Scholar wrote:
> Maximum force     =            inf on atom 3999