[gmx-users] Non-zero total charge

[shyama murali]

Dear Users,

I am a beginner in molecular dynamics,I have been trying to prepare a
system of ionic liquids from the itp files available. I found at the that
as I follow the command below

*gmx_mpi  grompp -f ions.mdp -c new.gro -p topol.top -o ions.tpr*

it follows the note on non zero total charge, the individual molecules have
exactly equal and opposite charge to get neutralized. Why do I get such an
error?

*NOTE 1 [file topol.top, line 246]:*

*  System has non-zero total charge: 55.250001  Total charge should
normally be an integer*

Please help me with the error. Thanking in advance.

SM