Hi David, after reading the man page of g_traj and some tests on its output, I can not discover a way of getting the total mass of an index group (e.g. protein).
Cheers, Christian. On Thu, 2009-02-12 at 14:35 +0100, David van der Spoel wrote: > Christian Seifert wrote: > > Hi users! > > > > Is there a gmx tool, which calculates the mass of one or more index > > groups? The manual says something about a tool named "g_com", but it > > seems, as if it does not belong to gmx4.0.3 anymore. > try g_traj > > > > > Greetings, > > Christian. > > > > -- M. Sc. Christian Seifert Department of Biophysics University of Bochum ND 04/67 44780 Bochum Germany Tel: +49 (0)234 32 28363 Fax: +49 (0)234 32 14626 E-Mail: [email protected] Web: http://www.bph.rub.de _______________________________________________ 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
