Compass II forcefield compatibility with Gromacs

User discussions
1

GROMACS version:
GROMACS modification: Yes/No

I’m wondering if there is a way to utilize the Compass II forcefield in Gromacs. Firstly, I’d like to use this force field in PDB2GMX and then I’d like to utilize this force field during simulation as well.

Is it compatible? I know I can use it in LAMMPS, but I prefer to use Gromacs.

Thank you

2

From the fact that it’s using quite uncommon cross-terms in its functional form, I can say it’s definitely not compatible with Gromacs bonded terms:

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