Dear Mark, I have used g_rmsf. It does not have separate options for fitting and RMSF calculation. The program prompts only once for user input, and it takes the same group for both fitting as well as RMSF calculation. My requirement was, whether fitting and RMSF calculations could be done using separate groups?
Thanks in advance. sridhar [gmx-users] fitting procedure in g_rmsf Mark Abraham Mark.Abraham at anu.edu.au Sat Feb 3 01:59:07 CET 2007 Previous message: [gmx-users] genbox using TIP3P? Next message: [gmx-users] Are trj and tpb files still used? Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] sridhar at cdfd.org.in wrote: > Hello, > > I have a rather basic query. > I want to know which atoms of the reference structure will be used for > fitting , in g_rmsf program. > In the program g_rms there are separate options for fitting and > calcualation of rmsd. I wonder if it is possible for the user to select a > set of atoms for fitting and calculate the rmsf over another range of > atoms or the whole protein, similar as in g_rms program. Probably. In fact, I'd be amazed if the same functionality were not present in g_rmsf as in g_rms, not that I've used the former. Have you tried it out to see? Mark Previous message: [gmx-users] genbox using TIP3P? Next message: [gmx-users] Are trj and tpb files still used? Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
