stop mailing me please Berk Hess <[EMAIL PROTECTED]> wrote: Exactly the tools you mention do work: g_rdf has the option -xy trjorder does not assume anything about the geometry and will work fine in your case.
Berk. >From: "Eudes Fileti" >Reply-To: Discussion list for GROMACS users >To: [email protected] >Subject: [gmx-users] Tools for axial symmetry >Date: Mon, 12 Nov 2007 10:59:54 -0200 > >Dear colleagues >I have made simulation of infinite nanotubes in solvent environment. >However I can not use the usual tools of the GROMACS to analyze my >simulation >(as g_rdf, trajorder, etc) due to axial symmetry (cylindrical). > >Problem that I need to solve are the calculation of rdf >(taking as reference the axis of the nanotube, not the COM) >and also the analysis of the number of molecules into the first solvation >shell. > >Have anybody some suggestion of standalone program or GROMACS tools for >help >me? > >Thanks >eef >-- >_______________________________________ >Eudes Eterno Fileti >Centro de Ciência Naturais e Humanas >Universidade Federal do ABC >Rua Catequese, 242 - 3º Andar >09090-400 Santo André - SP Brasil >Tel: +55 11 4437-1600 ramal 408 >skype: eefileti >http://cromo.ufabc.edu.br/~fileti/ >_______________________________________________ >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 _________________________________________________________________ Live Search, for accurate results! http://www.live.nl _______________________________________________ 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 __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
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