[gmx-users] Lennard-Jones Interactions in Gromacs

[Lara Bunte]

Hi

In a supporting Information of a paper is written:

"The description of the LF radical force fields is complete, as soon as also the parameters of the Lennard-Jones potentials are given. For these parameters we adopt the values specified in the CHARMM22 force field for the basic atom types"


Please tell me how, what and where I have to do this. 

I know that Lennard-jones interactions are in the ffnonbonded.itp file in the section [ pairtypes ]but I don't know what to do. 


Sorry for my probably stupid question but I don't understand it. :-( 

Thank you very much for your help.

Greetings
Lara