Yes I m using 4.0.7 version.so for that how could I change the name accordingly.
On Sat, Nov 5, 2011 at 1:37 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Anushree Tripathi wrote: > >> when i run the given command i.e, >> >> grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tpr >> It is showing fatal error:No such molecule type NA. >> How could I troubleshoot this problem? >> >> > Ion naming is listed in ions.itp - the "NA" name works for all force > fields in the Gromacs 4.5.x series. Older versions had force > field-specific naming so you will have to change the name accordingly if > you're using one of these versions. > > -Justin > > -- > ==============================**========== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> >
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