Hi I believe gromacs uses atom names from topology if they are not matching. Check atoms in PDB and compare them with topology then you will find what is missing or the differences Ali
On Sun, Nov 4, 2018 at 7:05 AM K. Subashini <subashi...@hotmail.com> wrote: > Hi gromacs users, > > For an organic molecule, the topology file was built using opls > forcefield was obtained. > > Using gmx insert command, the gro file containing 150 molecules of the > same organic compound placed in a box was obtained. > > Now the topology and gro file have non-matching atom names. > > > How to fix the error? > > Thanks, > Subashini.K > > -- > 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.
