Jarzynski calculate

From: Ropon-Palacios G. (biodano.geo_at_gmail.com)
Date: Fri Jun 18 2021 - 00:29:42 CDT

Dear users,

 

I have calculated the work done by an X puling during SMD and I have repeated the calculation 5 times in total, so I have the following matrix

 

Note: pulling is done along Z.

 

z w1 w2 w3 w4 w5

0 0.22 0.11 0.14 0.33 0.22

1 0.22 0.32 0.35 0.67 0.56

2 0.33 0.24 0.24 0.342 0.23

3 0.242 0.2 0.43 0.343 0.24

 

My question is this:

 

How do I get the average of the work?

  Do I have to average using the rows, or average using the columns? , to finally rebuild the PMF?

 

This is causing me confusion, please if you could help me.

 

 

Best.

 

Geo.

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