From: HAMID - (h2a1385_at_gmail.com)
Date: Wed Sep 21 2011 - 16:15:45 CDT
I have a question about distanceZ component of colvar in ABF method. I
read post about my problem but I did not understand the answer.
In distanceZ component, the axis (x,y,z) indicates the projection axis
e of distance (r-r1) vector and the value of such component is
e.(r-r1). My question is here, does the sign of e vector components
change the sign of final PMF values?
In other words, What is the relation between PMF sourced from e vector
(-1,0,0) and one sourced from e vector (1,0,0)?
As I inferred from the equation 17-19 of the Henin & Chipot paper
(JChemPhys, V. 121, N. 7, 2005) If the unit vector is one indicate by
e vector thus the sign of e component would change the final force.
Does I inferred correctly?
I would apologize for disturbing you by such questions. I am looking
forward for your comments and advices.
Thanks in advance.
---- H. Hadi PhD student of Biophysics, UT, Iran
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