[AMBER] PMF as a function of Q, fraction of native contacts

From: Nihal Korkmaz <enihalkorkmaz.gmail.com>
Date: Mon, 05 May 2014 17:47:13 -0500

Dear Amber Community,

I am aiming to implement Q (fraction or number of native contacts) as a
reaction coordinate for PMF just like we conventionally use distance or
angle restraints.

If there is anyone tackled/attempted this issue before, I appreciate any
suggestions.

Best,
Nihal 

-- 
E. Nihal Korkmaz
UW-Madison, Biophysics Program
Qiang Cui Lab
Phone: 608-265-3644
E-mail: korkmaz.wisc.edu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 05 2014 - 16:00:02 PDT
Custom Search