Can you perhaps kindly explain us how "charges and non-bonded interaction values" were "experimentally determined"?
Dr. Vitaly V. Chaban On Tue, Jun 24, 2014 at 10:37 AM, Rj <ra...@kaist.ac.kr> wrote: > Dear all, > > > Experimentally determined charges and non-bonded interaction values for > ligand atoms ( Written in charmm) can be used directly in gromacs provided > charmm27.ff ? or does it need any conversion to use it in gromacs based > charmm27.ff? > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
