[gmx-users] amide-capped C-terminus; OPLS force field

[Neena Susan Eappen]

I do this by adding amide group at the C-terminus on Pymol, use -ter flag during gmx pdb2gmx command, select None (for C-terminus), N and H in that amide group are automatically recognized as atom types opls 237 and opls 240 respectively. The net charge of system remains neutral.