[gmx-users] Glycine zwitterion parameters in Amber FF

Pelin S Bulutoglu pbulutog at purdue.edu
Fri Nov 30 21:04:34 CET 2018

Dear Gromacs users,

I am working on simulating glycine zwitterions in solution and in solid form. I have been using parameters from GAFF to run my simulations. I would like to try other force fields that are available in the Gromacs database. However, when I tried using AMBER force fields (amber99 specifically), I get an error from pdb2gmx saying that there is no residue type in the force field for 'GLY' as a standalone residue. Is there a way to work this out without manually entering the parameters?


Pelin Su Bulutoglu

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