VMD-L Mailing List

From: Ali Alizadeh (ali.alizadehmoj_at_gmail.com)
Date: Mon Dec 09 2013 - 07:09:30 CST

Dear All users,

I have done an NVT ensemble with LAMMPS package. I have saved its
trajectory in trr format.

Now, I want to convert that atomic trajectory to trajectory of center of
mass of molecules. Is it

possible? Does any body have experience? I want to do this for calculation
of density and g(r)

values of COMs in VMD. Can I save the coordinates of atomic trajectory of
atoms as COM

trajectory? 

-- 
Sincerely
Ali Alizadeh