Re: Atomselect within radial pair distribution function g(r)

From: Chitrak Gupta (chgupta_at_mix.wvu.edu)
Date: Wed Sep 30 2015 - 08:09:16 CDT

Hi Aditya,

I think it should read ".... segid 0 to 59". I know for a fact that that's
how it works for resid, so I believe it should be the same for segid too.

Best,
Chitrak.

On Wed, Sep 30, 2015 at 4:55 AM, Aditya Ranganathan <aditya.sia_at_gmail.com>
wrote:

> 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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