[gmx-users] How to measure distance between two COM (centre of mass) of two group of atom
Md. Imrul Reza Shishir
imrul.reza.shishir at gmail.com
Wed Apr 5 04:24:43 CEST 2017
How do I measure distance between two COM (centre of mass) of two group of
atom. I want to measure the strain of my simulation system.
[image: Inline image 3]
For that purpose i want to apply following analysis to the initial
structure and final structure to measure the distance.
"gmx distance -s *.tpr -f *.gro -n index.ndx -oall *.xvg"
Is this process is correct? What else should be the right procedure. I am
little bit confused with the output xvg file result. From where how can I
measure the distance.
*Md Imrul Reza Shishir*
More information about the gromacs.org_gmx-users