[gmx-users] Charging one layer of 3-layer slabs

[Shaghayegh Vafaei]

Hi all,

I am simulating 3 graphite slabs and I just want to charge one of them .
I edited the .itp file for the graphite slabs and I add some charges (negative
charges).
My problem is that I don't know how to specify that these charges just belong to
the first layer of three layers.
I was thinking may be I can categorized the slabs graphite molecules with
make_ndx in 3 different groups and I don't know what to do next.

So I appreciate if anybody can help me ,

Regards,

Shaqa