**From:** HAMID - (*h2a1385_at_gmail.com*)

**Date:** Wed Sep 21 2011 - 16:15:45 CDT

**Next message:**Giacomo Fiorin: "Re: ABF & distanceZ projection axis"**Previous message:**HAMID -: "ABF results interpretation"**Next in thread:**Giacomo Fiorin: "Re: ABF & distanceZ projection axis"**Reply:**Giacomo Fiorin: "Re: ABF & distanceZ projection axis"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear all,

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

**Next message:**Giacomo Fiorin: "Re: ABF & distanceZ projection axis"**Previous message:**HAMID -: "ABF results interpretation"**Next in thread:**Giacomo Fiorin: "Re: ABF & distanceZ projection axis"**Reply:**Giacomo Fiorin: "Re: ABF & distanceZ projection axis"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

*
This archive was generated by hypermail 2.1.6
: Wed Feb 29 2012 - 05:24:24 CST
*