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 [email protected] > 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 [email protected]. > 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: [email protected] Skype: ran.friedman ------------------------------------------------------ _______________________________________________ gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
