[gmx-users] Good force field for protein/metalloenzyme - GROMOS96 53a5, GROMOS96 43a2 or OPLS-AA/L

Chintan Bhagat cbb.chintan at gmail.com
Thu Feb 2 07:11:22 CET 2017

Dear all,

I am new to gromacs and I want to know which force field is more
appropriate for protein. I found in literature GROMOS96 53a5, GROMOS96 43a2
and OPLS-AA/L are suitable for my interest of protein. Can anyone suggest
me which are the necessary things one need to check before the start?

Moreover, I did not found any error using GROMOS96 53a5 and GROMOS96 43a2
in the first step.  I found missing residue error while running
OPLS-AA/L (*Residue
'ZN' not found in residue topology database)*

Chintan Bhagat

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