[gmx-users] Cannot select termini with AMBER99sb-ildn
mark.j.abraham at gmail.com
Sun Apr 21 11:05:10 CEST 2019
IIRC they chose not to parametrize for things that would not be present in
the systems they intended to model.
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,
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users