Re: [AMBER] ERROR no map function for HH12 ARG

From: David Case <>
Date: Tue, 20 Dec 2016 08:20:13 -0500

On Mon, Dec 19, 2016, srinivas penumutchu wrote:
> *ERROR no map function for HH12 ARG :data= 106 PHE QE 182 ARG HH12 5.00*
The default map file is in $AMBERHOME/dat/map.DG-AMBER. If you look at the
ARG entry, you will see that there is, indeed, no MAP line for HH12 in ARG.
If you indeed have this proton specifically assigned, you will need to add
a line mapping HH12 to itself. (In order to partially protect against bad
input, protons are not mapped to themselves by default.)

...good luck....dac

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Received on Tue Dec 20 2016 - 05:30:02 PST
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