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

2007-09-17 Thread 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

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

2007-09-17 Thread Mark Abraham
Arneh Babakhani wrote: 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? Yes, it will. If it can't rotate and translate, it's not much of a