From: Nadeem A. Vellore (vnadeem_at_gmail.com)
Date: Tue Jun 11 2013 - 11:33:02 CDT
Dear All,
I am trying to use ABF using two collective variables and through the ABF
documentation it was implied that the collective variables should be
orthogonal.
Here the detail about my system
*ABF-1* : distance constraint between A and B
A-B
*ABF-2* : dihedral
A-E-F-G
In my case I have same definition of atoms in group1 in both collective
variables. Is this something not correct for orthogonal definition. Should
I be using the "oneSiteSystemForce" option and redefine my distance as B-A
(group1 now being B) to circumvent this.
I want to check this before I start the simulation runs. Any comment will
be useful.
Thanks
Nadeem
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