Hi,
I read GROMACS bugzilla report of bug 107 (http://bugzilla.gromacs.org/show_bug.cgi?id=107)[1] and have to admit that I have no experience using trjconv. I really just need a push in the right direction -- I can't seem to find any decent explanation on how to use trjconv for this purpose anywhere on the net. What I'm trying to do is take a trajectory file I generated, and perform a trajectory analysis of two specific atoms in the molecule. Since g_traj only takes one index group, this is a problem. In particular, I want to automate the process and use non-interactive command-line calls. I think I should split the entire-molecule's-trajectory so that I have a separate trajectory file for each atom I would like to look at, and then serially run g_traj for each atom-trajectory. How do I use trjconv to split one trajectory file into a few, according to index groups or atoms? -- Inon Sharony ינון שרוני +972(3)6407634 atto.TAU.ac.IL/~inonshar Please consider your environmental responsibility before printing this e-mail. Links: ------ [1] http://bugzilla.gromacs.org/show_bug.cgi?id=107) _______________________________________________ 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
