[gmx-users] Conversion of trajectories to netcdf format

[Ran Friedman]

I don't know about netcdf, but you can use wordom to convert from xtc to
dcd.
Contact me off list if you don't succeed - I'm not sure whether the
online documentation of wordom is up-to-date.

Ran.

Tobias Unruh wrote:
> Hi,
>
> I would like to use nMolDyn for the analysis of the GROMACS trajectories.
>
> I tried VMD and catdcd to convert trr/tpr files to dcd/pdb files. But the
> conversion of the dcd/pdb files to nc (netcdf) files using the dcd_to_nc
> program of the nMolDyn package does not work. Obviously the header of the
> dcd file differs from what is expected by the dcd_to_nc program which
> uses
> MMTK.
>
> Does anyone know how to convert the GROMACS trajectories such that
> nMolDyn can be used for calculation of correlation and intermediate
> scattering functions?
>
> I appreciate any suggestion.
>
> Regards Tobias
>
> -- 
> Tobias Unruh
> TU Muenchen, FRM-II
> 85747 Garching, Germany
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
>


-- 
------------------------------------------------------
Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: r.friedman at bioc.unizh.ch
Skype: ran.friedman
------------------------------------------------------