Re: [AMBER] Add Molecule symmetry to sander

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Sun, 11 Sep 2016 07:39:29 -0400

I don't think there is any reason to except a homodimer to behave perfectly
symmetrically.

On Sep 10, 2016 8:58 PM, <tanfei777.sina.cn> wrote:

> Hello:
> I am currently using Sander to optimise a NMR protein structure, the
> structure is a homodimer, therefore, I think a a symmetric structure is
> what I want. I have already doubled my constraints, meaning the input NMR
> constraints are symmetric, however, the outcome structure is a little
> different on each monomeric unit, Is there A possible way to add symmetry
> besides adding symmetric constraints in the structure calculation process,
> where can I find it ??
>
> Thank You all very much!!
>
>
> Tan Fei
> NMR Centre From PKU
> PHD Candidate
>
>
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Received on Sun Sep 11 2016 - 05:00:02 PDT
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