Request to calculate axial distribution function

[Amit Srivastava]

Hi,

I am trying to calculate the axial distribution function using MD analysis. I would request you to please help in calculating the axial distribution function.

Thanks!

With regards,

Amit

[Hugo Macdermott-Opeskin]

Hi Amit, 

I am not exactly sure what an axial distribution function is and It is not available as a default analysis in MDA.

 If you could provide some more docs on what we would need to calculate perhaps we can help.

Cheers

Hugo 

[Amit Srivastava]

Dear Hugo,

Actually, I want to calculate the pair correlation function along the Z direction. The expression is given below:

g(Z) = 1/N \sum_{i=1}^{N} \sum_{j =1 j\neq i}{N} <\delta(z-z_{ij})>

Do you have any class for this is MD analysis? Please let me know.

Thanks!

With regards,

Amit

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[Oliver Beckstein]

Hi Amit,

There’s no class in MDA to do exactly what you want. 

You could write your own, based on the existing Inter_RDF() class. 

Best,

Oliver 

—

Oliver Beckstein * oliver.b...@asu.edu

https://becksteinlab.physics.asu.edu

Department of Physics and Center for Biological Physics

Arizona State University

Am 8/17/22 um 17:49 schrieb Amit Srivastava <amitp...@gmail.com>:



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