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.
