Re: [AMBER] Residue wise energy decomposition via MM-PBSA

From: Rajarshi Roy <phd1701171011.iiti.ac.in>
Date: Wed, 6 Sep 2017 12:50:34 +0530

Thank you.


On Wed, Sep 6, 2017 at 12:07 PM, Elvis Martis <elvis.martis.bcp.edu.in>
wrote:

> HI,
> You can import this in MS-EXCEL and you will be able to see it properly.
>
> Best Regards
> Elvis Martis
> Mumbai, INDIA.
>
> ________________________________________
> From: Rajarshi Roy <phd1701171011.iiti.ac.in>
> Sent: 05 September 2017 09:36
> To: AMBER Mailing List
> Subject: [AMBER] Residue wise energy decomposition via MM-PBSA
>
> Dear amber users and developers,
>
> I am running AMBER 16. I was trying to calculate decomposition of binding
> energy per residue via MM-PBSA scheme. But the format of my output file
> i.e. FINAL_DECOMP_MMPBSA.dat is quite different and it is very difficult to
> handle or manage that data.
> Can anyone please tell me how to handle this kind of data.
> I attached my output.dat file and one screen shot of my terminal below,
>
> --
>
> with regards
> Rajarshi Roy
>
> PhD Research Scholar
> Biosciences and Biomedical Engineering
> Indian Institute of Technology, Indore
> India
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
with regards
Rajarshi Roy
PhD Research Scholar
Biosciences and Biomedical Engineering
Indian Institute of Technology, Indore
India
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Received on Wed Sep 06 2017 - 00:30:02 PDT
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