Re: [AMBER] parameter problem for NVE/NPE or NPV ensemble

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 4 Apr 2013 10:00:27 -0400

On Thu, Apr 04, 2013, nguyentb.bii.a-star.edu.sg wrote:
>
> One more thing I have down is that if in a crystal structure, 10
> continuous residues are missed entirely (both backbone and sidechain),
> but this part is not in the interaction region. Should I use some
> program to build the missing residues, such as MODELLER? Or can I use
> the crystal structure with missing part?

I would recommend using a modeling program to build in the missing residues.

...dac


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Received on Thu Apr 04 2013 - 07:30:04 PDT
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