LJ parameters adding

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1

GROMACS version: 2021.4
GROMACS modification: Yes
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Hi,

I need to introduce new LJ parameters for the ffnonbonded file in GROMOS54a7 forcefield.

My parameters are;
Sigma - 0.3405 nm
epsilon - 119.8 K

How to add these values, do I need to do any unit conversions?

Cheers!

2

GROMACS uses SI units, so σ should be provided in nm and ε in kJ/mol.