Hi Raoul, You can also convert it to .gro or .pdb and do the analysis on that. Scriptwise that's trivial.
Cheers, Tsjerk On Sat, Dec 21, 2013 at 10:12 PM, Rasoul Nasiri <nasiri1...@gmail.com>wrote: > Dear all, > > Is there any available script/Tcl in order to convert a x,y,z trajectory > (x,y,z-coordinates+velocities) to *.trr one? > > I have optained the following trajectory and I need to have *.trr for > analysing of my MD; > > > C 45.96903 21.49863 24.62913 0.00000 0.00000 > 0.00000 > H 47.06603 21.49863 24.62913 0.00000 0.00000 > 0.00000 > H 45.80503 22.58663 24.62913 0.00000 0.00000 > 0.00000 > H 45.56903 21.09663 25.55113 0.00000 0.00000 > 0.00000 > C 45.38203 20.69563 23.47013 0.00000 0.00000 > 0.00000 > H 45.90103 19.74763 23.37813 0.00000 0.00000 > 0.00000 > H 45.64903 21.18663 22.53113 0.00000 0.00000 > 0.00000 > C 43.87003 20.45463 23.58413 0.00000 0.00000 > 0.00000 > . > . > . > . > > Any help is highly appreciated. > > Best, > Rasoul > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Tsjerk A. Wassenaar, Ph.D. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
