[gmx-users] g_rmsf and the -fit option , calculating average structures

[Arneh Babakhani]

I see to calculate the average structure of a protein in a trajectory 
minus any rotational + translational effects, using g_rmsf.   Does the 
-fit option (default yes) eliminate rot + trans contributions? 

Or must one use trjconv first, to convert the trajectory to some 
reference frame eliminating the rot+trans,  and then use g_rmsf on that 
new trajecotry???

Thanks,

Arneh


_______________________________________________
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