Hi again, > If you read g_rms -h like I suggested last time, you'll see that -f2 and > -s serve the same purpose with the former using a trajectory and the > latter a single structure. That document doesn't say what happens when > you use both... but the operation you're trying to do doesn't need both! the -h option is my standard first step when i use all the gmx-tools and I've read and done it like every time. I've tried to use -f2 option without using the -s and it comes out with the error "topol.tpr not found" so it's not "so optional", but it's needed also when using the -f2 option.. I've alsto tried to use the -s with my traj without using the -f2 option but it creates a matrix 2200x2200. However the problem still remain unsolved or misunderstanded. If i use the my only working command line g_rms -f 2200.pdb -f2 33.pdb -s ref.pdb -n -o -m -bin
I obtain a rmsd.xvg with 2 columns. So, which is the meaning of that value? a mean of all the rmsd calculated for that frame in respect to the other 33 refs? Thanks Andrea -- ¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯ Andrea Carotti Dipartimento di Chimica e Tecnologia del Farmaco Via del Liceo, 1 06123 Perugia, Italy phone: +39 075 585 5169 fax: +39 075 585 5161 www http://rpg.unipg.it personal www http://iris.chimfarm.unipg.it/users/andcar _______________________________________________ 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
