Hi, depends on the tool. If the tool just need the coordinates or just velocities (dcd/vel) you don't need to convert anything because the tools can use the VMD plugins to read dcd. If the tool needs a tpr file (e.g. carges) than you need to create one. In most cases the easiest solution to do this is to use pdb2gmx. If you have a non-standard molecule for which no rtp exists you could also use psfgen+top (http://www.benlabs.net/psfgen+top/ ). If the tool needs coordinates and velocities, let me know and I'll think of something.
Roland On Sun, Apr 3, 2011 at 3:06 PM, Molecular Dynamics < [email protected]> wrote: > Dear gmx users, > > I’m a NAMD user and want to use gromacs 4.5.4 analysis tools for my NAMD > output files. I have some NAMD output files : output.coor , output.vel , > output.dcd (binary coordinate trajectory output file). Can I convert these > output files into gromacs output files and use gromacs 4.5.4 analysis > tools ? If it’s possible to do it, could you please explain this job ? > > Thanks in advanceM > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309
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