Re: [AMBER] query about atom nomenclature in NOE restraints

From: case <>
Date: Sat, 23 Nov 2013 16:35:40 -0500

On Sat, Nov 23, 2013, Thomas Evangelidis wrote:

> Well, judging from the output of makeDIST_RST:
> "QG" and "QPG" are equivalent. They force the distance restraint to apply
> on the coordinate averaged position of HG2 and HG3.

The meaning of "QPG" depends on the residue type, but is defined in
$AMBERHOME/dat/map.DG-AMBER. For most residues it is equivalent to "QG".

You can put whatever definitions you want into this file. At some point in
the distant, distant past, some program must have used "QPG", and we were
trying to accommodate this usage.


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Received on Sat Nov 23 2013 - 14:00:03 PST
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