I would guess the new atom type should be in the ITP file. And of course, you are expected to define bonded and nonbonded terms for all applicable pairs, triples... of atoms.
Good luck. Dr. Vitaly V. Chaban On Wed, Jul 3, 2013 at 6:41 PM, Juganta K. Roy <juganta...@yahoo.com> wrote: > Dear all, > > I am a new user of GOMACS. My system contains Polymer and Water. I used > gromos53a6 force field and spc water model, it ran nicely. > > But now I want to use TIP3P water model with the same force > field (gromos53a6), in that case, I am getting a error message from the > 'grompp' during energy minimization step - "Fatal error: Atomtype OWT3 not > found". > > From GMX users Forum I got some information to resolve this problem. Such > that, I added OWT3 at the bottom of the .atp file of the related force > field and also edited the nonbonded.itp file. But I couldn't get rid of > such kind of error. > > Would you please give me suggestion to fix it? > > Thanks in advance for the help. > > > Jugnata > -- > 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 > -- 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
