# Re: Jarzynski calculate

From: ROPÓN-PALACIOS G. (biodano.geo_at_gmail.com)
Date: Fri Jun 18 2021 - 14:20:07 CDT

Them i can average on rows, rigth ?

For example for row with of Z O value?

Can given example with matrix that i attached ?

> El 18 jun. 2021, a la(s) 12:47 p. m., Ashkan <shekaari_at_email.kntu.ac.ir> escribió:
>
> ﻿
> ... then simply average over exp(-w) values with equal weights
>
> On Jun 18, 2021 22:15, Ashkan <shekaari_at_email.kntu.ac.ir> wrote:
> Dear friend,
> You have to calculate
> exp(-w)
>
> On Jun 18, 2021 09:59, "Ropon-Palacios G." <biodano.geo_at_gmail.com> wrote:
> 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
>
>
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> Note: pulling is done along Z.
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>
>
> 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
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> 2 0.33 0.24 0.24 0.342 0.23
>
> 3 0.242 0.2 0.43 0.343 0.24
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>
>
> My question is this:
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>
>
> 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?
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>
>
> This is causing me confusion, please if you could help me.
>
>
>
>
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> Best.
>
>
>
> Geo.
>
>
>

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