Dear All, I have some polymer having peptide bond and want to use OPLSaa. I was following Justin's example for building polymers http://lists.gromacs.org/pipermail/gmx-users/2009-March/040125.html
I have few queries: 1) do I need to define improper for peptide in .rtp file to keep it planar? 2) Also can pdb2gmx write improper by itself (in out .top file) depending upon bond information and atom types defined in rtp file? Then there will be no need to define impropers in rtp 3) Also can I use + before atom name more than once in one residue (fragmented polymer) thanks and regards, Jiom -- 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
