On Thu, Apr 26, 2012 at 04:19, mu xiaojia <muxiaojia2...@gmail.com> wrote: > e.g, I want to make an "HN" group of both H and N from my 2nd residue,
There are multiple ways to achieve what you want with g_select. Probably the easiest is "resnr 2 and name H N", or if you need the atoms in a different order (changing the order of H and N above has no effect), "resnr 2 and name H N permute 2 1". You can also use plus or merge using the syntax "nameH plus nameN" (plus and merge are equivalent if you are merging selections with single atoms), but they are meant for more complex situations. You cannot assign the result of a plus/merge into a variable, which may be your source of confusion. - Teemu -- 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
