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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
