Will you please send me the basic tutorial in which I can find how to use -n option in " grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr" command.
On Mon, Feb 6, 2012 at 5:17 PM, Justin A. Lemkul <[email protected]> wrote: > > > Anushree Tripathi wrote: > >> where should I use -n option in the command (i.e., grompp -f nvt.mdp -c >> em.gro -p topol.top -o nvt.tpr).Please tell me. >> >> > I would suggest you refer to grompp -h and/or go through some basic > tutorial material so that you can get a feel for command line options and > how to apply them. > > -Justin > > On Mon, Feb 6, 2012 at 4:58 PM, Mark Abraham <[email protected]<mailto: >> [email protected].**au <[email protected]>>> wrote: >> >> On 6/02/2012 8:28 PM, Anushree Tripathi wrote: >> >> Inspite of having DPPC in index file,when I run the command ( >> i.e., grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr ),I am >> getting the error: >> >> Group DPPC not found in indexfile. >> Maybe you have non-default goups in your .mdp file, while not >> using the '-n' option of grompp. >> In that case use the '-n' option. >> >> Now, what to do? Please guide me. >> >> >> You seem not to have used the -n option. You could try using it. :) >> >> Mark >> -- gmx-users mailing list [email protected] >> <mailto:[email protected]> >> >> http://lists.gromacs.org/__**mailman/listinfo/gmx-users<http://lists.gromacs.org/__mailman/listinfo/gmx-users> >> >> >> <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> >> >> >> <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 [email protected] >> <mailto:gmx-users-request@**gromacs.org<[email protected]> >> >. >> Can't post? Read >> http://www.gromacs.org/__**Support/Mailing_Lists<http://www.gromacs.org/__Support/Mailing_Lists> >> >> <http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >> > >> >> >> > -- > ==============================**========== > > 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 [email protected] > 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 [email protected]. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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