On Tue, Mar 19, 2013 at 2:16 PM, Shima Arasteh <shima_arasteh2...@yahoo.com>wrote:
> > > Dears, > > There is term of function for each 4 atoms in dihedral section in top > file. How this function is defined? To add extra dihedrals manually, I need > to add function too. > > All of this information is in the manual, Chapters 4 (definition of functional forms) and 5 (implementation in the topology). Force field-specific concerns should be addressed in the literature. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- 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
