Check out the file template.c, in gromacs/share/template. I'm being rather rude, and assuming you haven't read the FAQ, of course.
----- Original Message ---- From: Mark Abraham <[EMAIL PROTECTED]> To: Discussion list for GROMACS users <gmx-users@gromacs.org> Sent: Thursday, June 21, 2007 2:16:05 PM Subject: Re: [gmx-users] obtaining information from trj file Dave Segala wrote: > Dear All, > > I have complete my MD run and have produced a .trj file which you know > contains all atom x, v and f for each time step. I know that I can view > this file using gmxdump. Is there a way to actaully get these values using > matlab, C, C++, or even excel to use them? No these are proprietary and protected by DRM. Only GROMACS tools can get the values :-P Redirecting the output gmxdump to a text file and slurping that up is the easiest way, although probably the least elegant. Mark _______________________________________________ gmx-users mailing list gmx-users@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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php ____________________________________________________________________________________ Now that's room service! Choose from over 150,000 hotels in 45,000 destinations on Yahoo! Travel to find your fit. http://farechase.yahoo.com/promo-generic-14795097 _______________________________________________ gmx-users mailing list gmx-users@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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php