Hi, I am currently performing NVT equilibration of i-pma in a water-CCl4 box. Four moles of pre-equilibrated pma with a length of 30 units were randomly inserted into the pre-equilibrated water-CCl4 box. The system then underwent NVT equilibration for 500 ps, resulting in a temperature of 299.9 K (reference temperature = 300 K). Subsequently, I ran the NVT equilibration for an additional 1 ns, but encountered the following error:

Fatal error: 2 particles communicated to PME rank 1 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x. This usually indicates that your system is not well equilibrated.

How can I resolve this issue? Your assistance would be greatly appreciated. The nvt.mdp, .gro and log files are attached

Thanks in advance