Re: [AMBER] RMSd

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Thu, 18 Aug 2016 00:11:05 -0400

hi

What do you want to learn from this type of simulation?

Hai

On Thu, Aug 18, 2016 at 12:08 AM, Wong Li Zhe <Wong.LiZhe.student.imu.edu.my
> wrote:

> Dear AMBER users,
>
>
> I am currently simulating a protein (1304 amino acids) in vacuo without
> restraints.
>
> >From the RMSd versus time plot, the RMSd is about 140 angstroms!
>
> I wonder is this observation still consider as normal?
>
> As from the tutorial, this is considered as 'blown up'.
>
> Any inputs will be much appreciated.
>
>
> Thank you.
>
>
> Best regards,
>
> Li Zhe
>
>
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Received on Wed Aug 17 2016 - 21:30:03 PDT
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