[gmx-users] g_order

Stella Nickerson stella.nickerson at gmail.com
Thu Sep 10 19:58:34 CEST 2015


I have a molecule with a carbon chain attached to a ring. I want to use
g_order to generate the ordering parameter across the simulation box. I've
read the manual entry for g_order, and it said to create an index file with
only the "relevant" atoms included, so I made a group with just the atoms
in the carbon chain and put it in an index file on its own with no other
groups.

The output file doesn't have any profile in it. It says the x axis is
"Atom" which I don't want--I want the x axis to be "z" and the y axis to be
"Sz."

I've been playing with the arguments but nothing I try seems to make a
difference.

What am I doing wrong?

- Stella Nickerson


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