AMBER Archive (2008)

Subject: Re: AMBER: NMR refinement

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• In reply to: teresa.ierano_at_unina.it: "AMBER: NMR refinement"
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On Wed, Jul 02, 2008, teresa.ierano_at_unina.it wrote:

> Then I went to the next step and I tried to create a 7col.dist file
> following the template giving by the tutorial for DNA:
>
> 2 MEL H4 2 MEL H6 4.0.
> 2 MEL H3A 2 MEL H3E 4.0.
> 2 MEL H3A 2 MEL H4 4.0.
> 3 MOT H1 3 MOT H2 4.0.
> 3 MOT H1 3 MOT H5 4.0.
> 3 MOT H1 12 OGB H61 4.0.
> ...
>
> (N.B. MEL and MOT are my residues name recognised by xleap)

What is residue "OGB"? You will need to have this residue in the MAP file
is well, if it is in the 7col file.

>
> residue MEL
> MAPPING H1 = H1
> MAPPING C1 = C1
> MAPPING H4 = H4
> MAPPING H6 = H6
> ...
> residue MOT
> MAPPING ...
> ...

Looks to me like you need to add
  residue OGB
  MAPPING ....

...good luck...dac

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• In reply to: teresa.ierano_at_unina.it: "AMBER: NMR refinement"
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