Dear All, How does the utility g_x2top works? If we have similar connectivity in a molecule, then how will it read different atom types. Suppose a C atom is connected to 4 bonds (3 carbon atoms and 1 O atom, say in epoxy group) and similarly another C atom is also connected to 4 atoms (3 C atoms and 1 O atom, but the different functional group, e.g phenolic group). Both are present in the same molecule, then how should we define both in the .n2t file so that g_x2top reads both the atomtypes.
Thanks, Rakesh -- <https://mailtrack.io/> Sent with Mailtrack <https://mailtrack.io/install?source=signature&lang=en&referral=rakesh.p...@students.iiserpune.ac.in&idSignature=22> <#> -- 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.
