Dear Gromacs users, my system consists of two rigid bodies "a" and "b". The body "a" has no rotation or translation over time. Body "b" rotates and translates over time. For my system I got the initial structure as PDB file and a XTC trajectory. How do I get in any easy way from the XTC trajectory the three rotation angles of the rigid body "b" over time (someting like a 3 column output file) ?
I already searched the gromacs mailinglist and I locked at the commands "g_rms", "g_rdf", "g_sorient", "g_chi", "g_confrms", "g_bundle" and "g_rmsf". But it seems that non of the commands really does what I want :( . Any help is welcome, thanks and a happy new year Marc -- GRATIS für alle GMX-Mitglieder: Die maxdome Movie-FLAT! Jetzt freischalten unter http://portal.gmx.net/de/go/maxdome01 -- 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/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/mailing_lists/users.php
