[gmx-developers] adding new atom types to gromacs "shell model"

[Julius Su]

Hello,

I had some questions about the shell model implemention in GROMACS --

(1) is it possible to define new shell types?
(2) are the shells point charges or gaussian charges (screened coulomb
interaction)?
(3) is it possible to restrict the shells to interact with only a subset
of atoms?

Thanks,

Julius