stop mailing me please<BR><BR><B><I>Berk Hess <gmx3@hotmail.com></I></B> wrote: <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"><BR>Exactly the tools you mention do work:<BR>g_rdf has the option -xy<BR>trjorder does not assume anything about the geometry<BR>and will work fine in your case.<BR><BR>Berk.<BR><BR><BR>>From: "Eudes Fileti" <FILETI@UFABC.EDU.BR><BR>>Reply-To: Discussion list for GROMACS users <GMX-USERS@GROMACS.ORG><BR>>To: gmx-users@gromacs.org<BR>>Subject: [gmx-users] Tools for axial symmetry<BR>>Date: Mon, 12 Nov 2007 10:59:54 -0200<BR>><BR>>Dear colleagues<BR>>I have made simulation of infinite nanotubes in solvent environment.<BR>>However I can not use the usual tools of the GROMACS to analyze my<BR>>simulation<BR>>(as g_rdf, trajorder, etc) due to axial symmetry (cylindrical).<BR>><BR>>Problem that I need to solve are the calculation of rdf<BR>>(taking as
reference the axis of the nanotube, not the COM)<BR>>and also the analysis of the number of molecules into the first solvation<BR>>shell.<BR>><BR>>Have anybody some suggestion of standalone program or GROMACS tools for <BR>>help<BR>>me?<BR>><BR>>Thanks<BR>>eef<BR>>--<BR>>_______________________________________<BR>>Eudes Eterno Fileti<BR>>Centro de Ciência Naturais e Humanas<BR>>Universidade Federal do ABC<BR>>Rua Catequese, 242 - 3º Andar<BR>>09090-400 Santo André - SP Brasil<BR>>Tel: +55 11 4437-1600 ramal 408<BR>>skype: eefileti<BR>>http://cromo.ufabc.edu.br/~fileti/<BR><BR><BR>>_______________________________________________<BR>>gmx-users mailing list gmx-users@gromacs.org<BR>>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>>Please search the archive at http://www.gromacs.org/search before posting!<BR>>Please don't post (un)subscribe requests to the list. Use the<BR>>www interface or send it
to gmx-users-request@gromacs.org.<BR>>Can't post? Read http://www.gromacs.org/mailing_lists/users.php<BR><BR>_________________________________________________________________<BR>Live Search, for accurate results! http://www.live.nl<BR><BR>_______________________________________________<BR>gmx-users mailing list gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>Please search the archive at http://www.gromacs.org/search before posting!<BR>Please don't post (un)subscribe requests to the list. Use the <BR>www interface or send it to gmx-users-request@gromacs.org.<BR>Can't post? Read http://www.gromacs.org/mailing_lists/users.php<BR></BLOCKQUOTE><BR><p> __________________________________________________<br>Do You Yahoo!?<br>Tired of spam? Yahoo! Mail has the best spam protection around <br>http://mail.yahoo.com