VMD-L Mailing List

From: h9826299_at_hkusua.hku.hk
Date: Fri Dec 23 2005 - 12:02:16 CST

Hi,
  
  I using the measure rmsf command to calculate the rmsf value of selected atoms
over a traj. However, this command on returns the indiviudal rmsf values but
not the center of the grouped atoms, e.g. sidechain or backbone.

  Is there any way to calculate the gourped rmsf results? I've tried the measure
center result as the input into the measure rmsf input as the selection but it
doesn't work. Or do you think the average rmsf values of these atoms represents
the center of the group though?

thanks,
Chung