I have checked with gmxcheck and velocities and forces are output in .trr. I am playing template.c to try to learn more about GMX.
I read gmx_traj.c, but not quite understand. Can you give me a example, for instance the flags to be set in template.c to read the velcocities? thank you Qiang On Fri, Nov 28, 2008 at 1:41 AM, Tsjerk Wassenaar <[EMAIL PROTECTED]> wrote: > Hi Qiang, > > You'll have to check whether the frame contains velocities (fr.bV == > TRUE) or forces (fr.bF == TRUE). Also make sure you set the flags > right to read velocities/forces. Check the source of g_traj or trjconv > for examples. > > Cheers, > > Tsjerk > > On Fri, Nov 28, 2008 at 10:33 AM, Mark Abraham <[EMAIL PROTECTED]> > wrote: > > friendli wrote: > >> > >> Dear all users, > >> > >> A silly question: > >> > >> I want to print out the velocities and forces in the trajectories using > >> template.c. > > > > g_traj or gmxdump do that. > > > > 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 > > > > > > -- > Tsjerk A. Wassenaar, Ph.D. > Junior UD (post-doc) > Biomolecular NMR, Bijvoet Center > Utrecht University > Padualaan 8 > 3584 CH Utrecht > The Netherlands > P: +31-30-2539931 > F: +31-30-2537623 > _______________________________________________ > 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 >
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