On Mon, Dec 01, 2008, Ryan Pavlovicz wrote:
> Hi. I am currently using makeDIST_RST to prepare a restraint file for some
> NMR refinement. During this procedure, i run into an error:
>
> ERROR no map function for HH TYR :data= 27 LEU QD1 134 TYR HH 1.80
> 5.50
>
> I found that the map files, /amber/dat/map.DG-AMBER and
> /amber/dat/map.Brook-AMBER, have the following 'HH' assignments for TYR
> residues:
>
> MAPPING OH = HH
> MAPPING HOH = HH
>
> Is this a typo in the first line? I'm thinking that the assignments should
> read:
>
> MAPPING HH = HH
> MAPPING HOH = HH
>
> I've made the change in my personal files, but if this is an error in the
> file, maybe it should be changed for future releases?
I agree with your analysis (i.e. those were typos). Thanks for reporting
this; we will get this fixed for future releases.
...regards...dac
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Received on Fri Dec 05 2008 - 18:24:35 PST
