-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On 02/01/2011 05:49 PM, Nilesh Dhumal wrote: > Hello, > > > I am trying to calculate the Velocity Autocorrelation Function for my > system using g_velacc. I have system of 128 ionic liquids (128 cations and > 128 anions). I run the trajectory for 20 ns. I used following command > . > > g_velacc -f 3.trr -n emi-etso4-127-no.ndx -s 3.tpr -o > > I selected "system" > > The output file, vac.xvg, have no data. > > Can any one tell why its not wirting.
Perhaps you have not velocities stored in your trr file or the index file is empty. /Flo > > Thanks > Nilesh > > > > - -- Florian Dommert Dipl.-Phys. Institute for Computational Physics University Stuttgart Pfaffenwaldring 27 70569 Stuttgart Phone: +49(0)711/685-6-3613 Fax: +49-(0)711/685-6-3658 EMail: domm...@icp.uni-stuttgart.de Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iEYEARECAAYFAk1IXaQACgkQLpNNBb9GiPknNQCgyPiuIJCNofRU+wot5+E/b8be 910AoN64tjsWFhG1adFSGOYF4RBcYr2D =g8ci -----END PGP SIGNATURE----- -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
