On Mon, Feb 11, 2013 at 5:20 PM, Landraille <landry.charl...@univ-montp1.fr>wrote:
> Last question (I hope). > > How can I choose the force constant? > > Indeed for the version 4.5, the force constant is defined by the > option dihre_fc in the mdp input file. After this force is multiply by > kfac contained in the dihedral_sections in the topology file > > Now this option is obsolete. The force constant is defined by kfac in > gromacs4.6 ? If yes, kfac has now a unit. In kJ.mol-1.rad-2 ? > Yes. Mark -- 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
