[gmx-users] gromacs 4.5.4 analysis tools

[Roland Schulz]

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 <
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
> 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-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...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110403/30828388/attachment.html>