[gmx-users] gromacs 4.5.4 analysis tools
roland at utk.edu
Sun Apr 3 22:47:41 CEST 2011
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
On Sun, Apr 3, 2011 at 3:06 PM, Molecular Dynamics <
moleculardynamics at yahoo.com> 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 gmx-users at gromacs.org
> 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-request at gromacs.org.
> 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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users