[gmx-users] Lennard-Jones Interactions in Gromacs
lara.bunte at yahoo.de
Fri Mar 2 16:35:24 CET 2012
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.
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