Hi Folks, I have added a custom DNA residue to the amber99sb ff, and everything works perfectly, (thanks to Justin!).
The residue is incorporated perfectly into the sequence, with no abnormal events during simulations. I have updated all the files to include the new residue. I have since realised, when using g_rms, that my custom residue is not included in the default DNA index group, and appears as a group on its own. Is there a way of making gromacs understand that this residue is DNA when it makes the index files? I am not using make_ndx, I just let gromacs split the groups. Thanks in advance Will - Cranfield University
-- 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