On Apr 15, 2013 6:27 PM, "Justin Lemkul" <jalem...@vt.edu> wrote: > > > > On 4/15/13 12:23 PM, Steven Neumann wrote: >> >> Dear Gmx Users, >> >> I obtained dcd trajectory from simulation in another software. I wish to >> merge many trajectories using trjcat with a proper timestep. Is that option >> possible using gromacs or shall use a script to produce tpr file from my >> prmtop file e.g. amb2gmx ? Any links for such a script? >> > > If you linked against VMD libraries when installing, Gromacs can handle any trajectory/coordinate file format that VMD can, thus requiring no conversion. If you need a .tpr file to do the analysis you are trying to do, then yes, you need to convert topology information into the proper format.
...and be aware that a -s option that accepts both .tpr and (say) .gro formats (as shown in g_tool -h) might succeed with the latter if only atom names, rather than (say) bonding connectivity is required for g_tool to work. Mark > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > 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 -- 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
