Atomselect within radial pair distribution function g(r)

From: Aditya Ranganathan (
Date: Wed Sep 30 2015 - 03:55:37 CDT

Dear All,

I have a problem where I want to compute the distribution function for
beads of type 1 with all other beads. However, I want to exclude beads from
the same segid from the calculation. Is it possible to do it in the plugin?

I tried using something like

Selection 1: type 1 and segid ".*[0-59]+.*"
Selection 2: type 1 and not same fragment as segid ".*[0-59]+.*"

However, there is a parsing error which results.

I want to understand where I`m going wrong.

Thanks and Regards

Srivastav Ranganathan
IIT Bombay

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