Hi,
On Tuesday, 29. July 2008, N. Sundar Ram wrote: > hi people, > I am new to gromacs. I am running gromacs (version 3.3.1) for a > protein and its 3 mutants. I am not having any problems in the > run. I would like to focus my analysis on 3-4 amino acids > specifically. > Can anyone please tell me some good commands or a link where I can check > how these amino acids are interacting, how these amino acids are > fluctuating etc. > I searched the manual but I am not sure which commands to use. > Also, I think it is better to get some help from people who have done this > type of analysis many times. > > I am waiting for your reply. > Thank you a good starting point is the manual and the wiki of gromacs http://wiki.gromacs.org/index.php/Main_Page Analysis tools you can use are something like g_rms g_dist ... Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26573 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
