Hi, Prodrg is not gromacs software, so there is probably a better place to ask this question. I'd also look at their docs to find out how to suggest a carboxylic acid.
Mark On Sun, 6 Aug 2017 18:09 ZHANG Cheng <272699...@qq.com> wrote: > Dear Gromacs, > I would like to perform simulations for a protein with glycines. > > > I think I should use "insert-molecules" as shown on > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/biphasic/01_genconf.html > > > So I went to PRODRG2 Server to obtain the glycine structure by "text > drawing": > > > O > " > N-C-C-O > > > But I got a suggested structure of NH3-CH2-COO, instead of NH2-CH2-COOH. > Can I ask why is that? > > > Thank you. > > > Yours sincerely > Cheng > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
