[gmx-users] pdb2gmx with GROMOS

[Dries Van Rompaey]

Hi Justin and Marco,

Thanks for your reply. I get this behaviour when I specify the default NH3+
and COO- termini through -ter, as well as when I don't use the -ter flag.
Selecting the COOH terminus type removed the warning for the C-terminus,
but selecting the NH2 terminus type did't remove the warning for the
N-terminus. That's not a very physiological state, however.

Can anyone replicate this error?

Kind regards

Dries