Justin, I want to simulate flexible lattice consist of only one type of atoms (nodes). So the planar (sp2 ) carbons are rigid. On other hand more flexible (sp3) carbons connected with hydrogens but I want that hydrogens were not included in my lattice. Should I use another (what? )atom-type for the node of my lattice ?
James 2013/1/2, Justin Lemkul <jalem...@vt.edu>: >> > > The valence of an atom is whatever you assign it in the topology. Carbon > atoms > can be planar, as in aromatic rings of amino acids, without any issue. > > -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
