Re: [AMBER] hbond cutoff for %occupancy in series data (.gnu file)

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 13 Oct 2016 09:26:32 -0400

No, but this is a good idea. I'll add it to my ToDo list. Thanks,

-Dan

On Wed, Oct 5, 2016 at 8:10 AM, Hirdesh Kumar <hirdesh.iitd.gmail.com> wrote:
> Hi,
>
> I am using *series* keyword to plot h-bonds during my simulation. By
> defaults, it stores all hbonds information in the .gnu file.
>
> Is there a way to put a cutoff for the percentage occurrence (say >20%
> occurrence) to shorten the .gnu data.
>
> at the moment i m using following command:
> hbond :1-541 nointramol out BFq-nhb.dat avgout BFq-avghb.dat series
> uuseries bonds.gnu
>
>
> *Thanks,*
>
> *Hirdesh*
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Oct 13 2016 - 06:30:02 PDT
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