Re: [AMBER] mapping problem with makeDIST_RST

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 15 Mar 2013 11:20:35 -0400

>On Mon, Mar 11, 2013, Bayse, Craig A. wrote:
>
>
>>4 HIS HD2 28 ALA HB* 6.000
>>
>>ERROR no map function for HB* ALA :data= 4 HIS HD2 28 ALA HB* 6.000
>
>You can see if you examine the map.DG-AMBER file that there is no entry for
>HB*. I'm guessing that you mean a non-stereospecific assignment for HB2/HB3.
>As you will see from the file, this is called QPB or QB.

Just to expand on my earlier reply: you are of course welcome to edit the
map.DG-AMBER file to add your own mappings. If you want to use HB*, just add
it to the mapping file.

...dac


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Received on Fri Mar 15 2013 - 08:30:03 PDT
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