Net charge after solvation

User discussions
1

GROMACS version: 2019.5
GROMACS modification: No

I keep getting a net charge after the solvation in the system. The itp file has a charge of zero and the net charge points to the topol file, sol line. How do i fix this?
topol.top (201 Bytes)

2

Could you post the itp file somewhere? Are you sure it really has a net charge of 0?

3

I did check the itp file and the charges seem to be inconsistent for the same opls number, ill correct it and update.

Thanks!