Re: [AMBER] very high and unstable RMSD

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Thu, 29 Jul 2010 10:14:49 +0530 (IST)

It is CA,N,C,O rmsd and both terminus are included in rmsd calculation

> Sorry, CA RMSD. So sometimes the N- and C- termini in crystal structures,
> for example, are disordered. That is, the crystal contains an ensemble of
> conformations of these N- and C-termini...
>
> On Thu, Jul 29, 2010 at 12:32 AM, Kevin Hauser <84hauser.gmail.com> wrote:
>
>> Hi, Sangita,
>>
>>
>> Out of curiosity, did they include the flailing N- and C-termini in the
>> RMSD calculation? Was it CA RMSD? CA,N,C RMSD? Heavy atom RMSD? or All atom
>> RMSD?
>>
>>
>> -kevin
>>
>
>
>
> --
> -- - -
> HK
>
> -------------------------------------------------------
> Kevin Eduard Hauser
> National Science Foundation,
> LSAMP Bridge to the Doctorate Fellow
>
> The Department of Chemistry
> Stony Brook University
> Stony Brook, New York 11794
>
> Phone: (561) 635.1848
> Email: 84hauser.gmail.com
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>


Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH

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Received on Wed Jul 28 2010 - 22:00:06 PDT
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