On Thu, Jan 17, 2013 at 1:51 PM, James Starlight <jmsstarli...@gmail.com> wrote: > So if I have force field with the C6/C12 terms (instead of > sigma\epsilon) I need to express sigma (which correspond to the Rmin > in LJ equation) as the (C12/C6)^0.5. Than if I want to increase sigma > ( and consequently to increase vdw radius of my atom) I must to > increase c12 or decreace C6 terms. Does it correct in general ?
I think that I have already answered the question - please re-read my previous messages in the thread. Cheers, Bogdan -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
