Dear Anna, Use make_ndx to create any group you find useful.
Ran. Anna Marabotti wrote: > Dear gmx-users, > I would like to create from my trajectory an average structure of my protein > with its ligand inside. > With both g_rmsf and g_cluster I am prompted to indicate one group, but > ligand and protein are > separated into different groups, and I'd want to exclude water from this > structure, so I don't want > to indicate "system". I checked into the mailing list but didn't find any > suggestion. Does anybody > has one? > Many thanks in advance and regards > Anna Marabotti > > ______________________________________________ > Anna Marabotti, Ph.D. > Laboratorio di Bioinformatica e Biologia Computazionale > Istituto di Scienze dell'Alimentazione, CNR > Via Roma 52 A/C > 83100 Avellino (Italy) > Tel: +39 0825 299651 > Fax: +39 0825 781585 > Skype: annam1972 > E-mail: [EMAIL PROTECTED] > Web page: http://bioinformatica.isa.cnr.it/anna.htm > ____________________________________________________ > "If you think you are too small to make a difference, try sleeping with a > mosquito" > > _______________________________________________ > 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 > > -- ------------------------------------------------------ Ran Friedman Postdoctoral Fellow Computational Structural Biology Group (A. Caflisch) Department of Biochemistry University of Zurich Winterthurerstrasse 190 CH-8057 Zurich, Switzerland Tel. +41-44-6355593 Email: [EMAIL PROTECTED] Skype: ran.friedman ------------------------------------------------------ _______________________________________________ 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
