Great! In the short run that will be perfect. In the long run, what can be done to run Carbon and Nitrogen relaxation simultaneously? Or multiple carbon relaxation sites? For instance:
Adenine: C8-H8 and C2-H2
Guanine: C8-H8 and N1-H1
Cytidine: C5-H5 and C6-H6
Uracil: N3-H3, C5-H5, and C6-H6
Alex Hansen
On 9/28/06, Edward d'Auvergne <
edward.dauvergne@xxxxxxxxx> wrote:
relax is only requires residue numbers. The residue name can be
absolutely anything! Therefore as long as there is one data set per
residue then it should be fine. If there are two or more data sets
per residue, then relax will have problems. That should be fixable if
required though.
Edward
On 9/29/06, Alexandar Hansen <viochemist@xxxxxxxxx> wrote:
> Hello,
>
> I was curious how to go about making an input file for nitrogen relaxation
> of nucleic acids. Is it a simple procedure of making the input file like
> this:
>
> <R1.600.out>
>
> Num Name Value Error
> 1 G 2.15 0.22
> 2 U 1.39 0.15
> etc.
>
>
> Alex Hansen
>
>
>
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Re: Using relax with RNA