Inon Sharony wrote: > > Good morning! > > Firstly, I'd like to thank congratulate everyone involved for ver 4.0 > > > Now for business: > > I'm getting empty *.xvg files from g_traj... this doesn't always > happen, and I can't find what I'm doing differently... I'm running > version 3.3.3 on Ubuntu: > > -------------------------------------------------------------------------------- > > > grompp_d -f eq -c b4eq -n -t > mdrun_d -c b4md -v > > grompp_d -f md -c b4md -n -t > mdrun_d -c md -v > > g_traj_d -n -ox x_ndxgrp1 -ov v_ndxgrp1 > > --------------------------------------------------------------------------------
By default, g_traj reads the traj,xtc (check g_traj -h) which does not contain velocities. Have you tried g_traj_d -f traj.trr ? Jochen > > > gives me two *.xvg files: > the x_ndxgrp1 file is fine, but v_ndxgrp1 has an xmgrace formatting > header, and then no data afterward. This formatting information agrees > with the number of atoms in the group ndxgrp1. > > what am I doing wrong? > -- ************************************************ Dr. Jochen Hub Max Planck Institute for Biophysical Chemistry Computational biomolecular dynamics group Am Fassberg 11 D-37077 Goettingen, Germany Email: jhub[at]gwdg.de Tel.: +49 (0)551 201-2312 ************************************************ _______________________________________________ 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
