[gmx-users] using OH ions in combination with CHARMM27 force field

[soumadwip ghosh]

Thanks Justin for your reply. I was wondering then how to prepare an OH.itp
file from the scartch. Can it be made using pdb2gmx? Also from some old
threads I came accross that hydroxide and hydroxonium ions are species
which dont obey classical dynamics. I would appreciate your thoughts on
this.

I would also like to know if I make an NaOH.itp somehow and then add it to
my system containing the polymer is it going to behave like a
polyelectrolyte? Sorry if I am asking much.

Thanks and regards,
Soumadwip Ghosh
Research Scholar
IITB
India