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

Peter Kroon p.c.kroon at rug.nl
Mon Sep 16 11:48:32 CEST 2019

"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.


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

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