Thank you for your help.<br>However, I can't understand how to generate gro file from trr and xtc files.<br>I'm sorry. I'm a beginner.<br><br>Would you let me know exact command? or where can I find?<br><br>Again, I saved
<b style="color: rgb(255, 0, 0);">velocity only in trr</b> file, and I have xtc file (only coordinates).<br>I have edr file also.<br><br>I found the following to make the restart file (gro file).<br><br>tpbconv -s eq5.tpr
-f eq5.trr -e eq5.edr -o eq6.tpr -time 6870.000<br><br>Since I have velocity only in the trr file, I can't apply this.<br><br>Any idea?<br><br><br><br><br>On Nov 29, 2007 11:17 AM, Alan Dodd <<a href="mailto:anoddlad@yahoo.com">
anoddlad@yahoo.com</a>> wrote:<br>> <a href="http://wiki.gromacs.org/index.php/Doing_Restarts">http://wiki.gromacs.org/index.php/Doing_Restarts</a><br>> <br>> You can make a gro with what you have. You *may* be able to continue your run properly. Read the above link.
<br>> <br>> <br>> ----- Original Message ----<br>> From: Myunggi Yi <<a href="mailto:myunggi@gmail.com">myunggi@gmail.com</a>><br>> To: <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>
<br>> Sent: Thursday, November 29, 2007 4:06:06 PM<br>> Subject: [gmx-users] Recover velocity from trr file and coordinates from xtc file<br>> <br>> Dear Gmx users,<br>> <br>> Can I make a gro file (restart file) from trr (I saved only velocities)
<br>> and xtc file (which has the coordinates)?<br>> If I can, how can I do this job?<br>> I'm a beginner.<br>> <br>> Have a nice day.<br>> <br>> <br>> <br>> --<br>> Best wishes,<br>>
<br>> MYUNGGI YI<br>> ==================================<br>> KLB 419<br>> Institute of Molecular Biophysics<br>> Florida State University<br>> Tallahassee, FL 32306<br>> <br>> Office: (850) 645-1334
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MYUNGGI YI<br>==================================<br>KLB 419<br>Institute of Molecular Biophysics<br>Florida State University<br>Tallahassee, FL 32306<br><br>Office: (850) 645-1334<br><a href="http://www.scs.fsu.edu/~myunggi">
http://www.scs.fsu.edu/~myunggi</a><br>