Deviation too large for solvent in MM

[Dylan Herrera]

Dear NWChem community,

I have been attempting to get molecular mechanics working for about a week now to no avail. I am having particular trouble debugging the error message "Deviation too large for solvent" I have read in the archived forums that I should 1) try increasing the size of my box in the .rst file, 2) Try increasing the envelope, or 3) Do an md optimize before running the simulation, however, none of the options seem to work. I would really appreciate any insight into the error message and steps to resolve the issue.

I have also attached my input and output.

Thank you