Thanks for the reply! On Thu, Apr 26, 2012 at 3:28 AM, Teemu Murtola <teemu.murt...@cbr.su.se>wrote:
> 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 >
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