Thank you for your help. However, I can't understand how to generate gro file from trr and xtc files. I'm sorry. I'm a beginner.
Would you let me know exact command? or where can I find? Again, I saved *velocity only in trr* file, and I have xtc file (only coordinates). I have edr file also. I found the following to make the restart file (gro file). tpbconv -s eq5.tpr -f eq5.trr -e eq5.edr -o eq6.tpr -time 6870.000 Since I have velocity only in the trr file, I can't apply this. Any idea? On Nov 29, 2007 11:17 AM, Alan Dodd <[EMAIL PROTECTED]> wrote: > http://wiki.gromacs.org/index.php/Doing_Restarts > > You can make a gro with what you have. You *may* be able to continue your run properly. Read the above link. > > > ----- Original Message ---- > From: Myunggi Yi <[EMAIL PROTECTED]> > To: gmx-users@gromacs.org > Sent: Thursday, November 29, 2007 4:06:06 PM > Subject: [gmx-users] Recover velocity from trr file and coordinates from xtc file > > Dear Gmx users, > > Can I make a gro file (restart file) from trr (I saved only velocities) > and xtc file (which has the coordinates)? > If I can, how can I do this job? > I'm a beginner. > > Have a nice day. > > > > -- > Best wishes, > > MYUNGGI YI > ================================== > KLB 419 > Institute of Molecular Biophysics > Florida State University > Tallahassee, FL 32306 > > Office: (850) 645-1334 > http://www.scs.fsu.edu/~myunggi > _______________________________________________ > 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 > > > ____________________________________________________________________________________ > Never miss a thing. Make Yahoo your home page. > http://www.yahoo.com/r/hs > _______________________________________________ > 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 > -- Best wishes, MYUNGGI YI ================================== KLB 419 Institute of Molecular Biophysics Florida State University Tallahassee, FL 32306 Office: (850) 645-1334 http://www.scs.fsu.edu/~myunggi
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