[gmx-users] Cannot select termini with AMBER99sb-ildn

[Mark Abraham]

Hi,

IIRC they chose not to parametrize for things that would not be present in
the systems they intended to model.

Mark

On Sun., 21 Apr. 2019, 01:21 Neena Susan Eappen, <
neena.susaneappen at mail.utoronto.ca> wrote:

> Hello gromacs users,
>
> I was wondering why with AMBER99sb-ildn force field, peptide termini
> cannot be user defined say like neutral N terminus. Is this because this
> forcefield is mostly for proteins for which N-terminus is always protonated
> at physiological pH?
>
> Many thanks,
> Neena
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