I'm not sure this information is in my trajectory, the axis in the msd.xvg only goes up to 600ps (and not 60ns). Is there anyway i can set the interval in the trr file?
-dima On Tue, Apr 14, 2009 at 6:05 PM, Justin A. Lemkul <[email protected]> wrote: > > > Dmitry Lupyan wrote: >> >> Hello Gromacs Users, >> >> I have a 60ns trr trajectory file (converted with VMD from namd2 >> trajectory) which has 6000 snapshots saved at 10 ps intervals. how do >> I specify the snapshot interval to g_msd so it calculates the D >> properly? >> > > Which option are you referring to? The only one I can think of is > -trestart, which has nothing to do with frame interval, but is related to > statistics. You shouldn't have to tell any of the Gromacs tools what the > frame interval is; if you have a valid trajectory, that information is > already present. > > -Justin > >> -dima >> _______________________________________________ >> 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 >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > ICTAS Doctoral Scholar > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > _______________________________________________ > 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 > _______________________________________________ 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
