Hi Justin I got the error
Can not open file: topol.tpr if I type trjconv -n index.ndx -f molecule.pdb -o output.pdb -s and I got the error Can not open file: traj.xtc if I type trjconv -n index.ndx -f -s molecule.pdb -o output.pdb What is the problem? Greetings and thank you for helping me. Lara ----- Ursprüngliche Message ----- Von: Justin A. Lemkul <jalem...@vt.edu> An: Lara Bunte <lara.bu...@yahoo.de>; Discussion list for GROMACS users <gmx-users@gromacs.org> CC: Gesendet: 18:07 Montag, 30.April 2012 Betreff: Re: [gmx-users] File editing - only one layer of water around a molecule On 4/30/12 11:41 AM, Lara Bunte wrote: > Hi > > I have the command > > > trjconv -n index.ndx -f molecule.pdb -o output.pdb > > > that don't work because of the missing topol.tpr file. You wrote: > >> Supply your .pdb file to the -s flag > > Where exactly do I have to write -s in my command? > > Anywhere. Order of arguments is irrelevant to all Gromacs commands. -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 ======================================== -- 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
