[gmx-developers] Reading charmm dcd files

Yang Ye leafyoung at yahoo.com
Sat Nov 3 17:37:25 CET 2007

I assume that you are looking for converting xtc to dcd. For this, you 
can look for Groot's download

Also to Groot,
it is good to add a line
to close the opened file, in the sample files. Without doing so, after a 
few opening operations, the program will cause Segmentation fault. I 
know that most developer shall figure out this without telling them but 
there are some people like the one I encountered...

Yang Ye

On 11/4/2007 12:01 AM, Ran Friedman, Biochemisches Inst. wrote:
> Dear Developers,
> I'm thinking about writing a dcd reader (and writer) for gromacs. I've 
> been searching the mailing lists, but found mostly references to other 
> programs. I wonder if anybody already has some experience with it?
> Thanks,
> Ran.
> ------------------------------------------------------
> Ran Friedman
> Postdoctoral Fellow
> Computational Structural Biology Group (A. Caflisch)
> Institute of Biochemistry
> University of Zurich
> Winterthurerstrasse 190
> CH-8057 Zurich, Switzerland
> Tel. +41-44-6354493
> Skype: ran.friedman
> ------------------------------------------------------
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-developers-request at gromacs.org.

More information about the gromacs.org_gmx-developers mailing list