Re: [AMBER] finding number of atoms within a radius

From: Saikat Pal <saikatpaliitg.yahoo.com>
Date: Mon, 7 Sep 2020 08:50:06 +0000 (UTC)

Thanks for your quick reply.
Thanks and Regards,
Saikat Pal



 

    On Monday, 7 September, 2020, 12:35:55 pm IST, Elvis Martis <elvis_bcp.elvismartis.in> wrote:
 
 Hi
You can try using nativecontacts in cpptraj. See page 698 in the AMBER
manual for details on how to use this
Best Regards
Elvis



On Mon, 7 Sep 2020 at 10:58, Saikat Pal <saikatpaliitg.yahoo.com> wrote:

> Dear all,
> I want to calculate the number of atoms within a specific radius with time
> progression. Is it possible in cpptraj? I have found a previous mail Re:
> [AMBER] finding number of atoms within a radius from Elvis Martis on
> 2017-05-24 (Amber Archive May 2017)
>
> |
> |
> |  |
> Re: [AMBER] finding number of atoms within a radius from Elvis Martis o...
>
>
>  |
>
>  |
>
>  |
>
>  where rdf calculation is suggested but I don't want to calculate rdf. Is
> there any way to solve this issue?
>
> Thanks and Regards,
> Saikat Pal
>
>
>
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Received on Mon Sep 07 2020 - 02:00:02 PDT
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