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

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Sun Apr 21 01:21:24 CEST 2019

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,

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