excess charge in MM part in QM/MM simulation

[tarak karmakar]

Dear All,
While running a QM/MM simulation, I am getting an extra charge of +0.51 in
my MM part.

-----------------------------------------------------------------------------------------------------------
CHARGE_INFO| Total Charge of the Classical System:
2.510000
 DFT|
Charge                                                                  -2
-----------------------------------------------------------------------------------------------------------

I had a discussion on this issue earlier. I have got a suggestion saying
that I need  to adjust this extra charge in the MM atomic charges in the
.psf file.

Would anyone please suggest me how to redistribute this excess charge in
the MM atoms present in the .psf file?

Thanks and regards,
Tarak
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