GROMACS version:
GROMACS modification: Yes/No
Hi everyone, I would like to ask a question about using amber forcefields in gromacs, I would appreciate your time if you answered me.
I want to use amber04 for protein conformation and dynamics simulation via Gromacs. Which version of gromacs and water model should I use with such forcefield? Is it suitable for such a survey?
Choosing the “correct” forcefield for your application is a very delicate question. It depends largely on the exact goal of your study and the current literature on that topic. You can find here an overview of the actual AMBER protein force fields and their recommended water models. Input files for GROMACS using the AMBER FF can be generate with the CHARMM-GUI.