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: [email protected] 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 [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 ____________________________________________________________________________________ Never miss a thing. Make Yahoo your home page. http://www.yahoo.com/r/hs _______________________________________________ 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
