[AMBER] Structure refinement protocol on the AMPS-NMR portal

From: Baptiste Legrand <bap.legrand.gmail.com>
Date: Wed, 16 Jan 2013 14:40:38 +0100

Dear all,

I just want to add a refinement step on the NMR structures of small
peptides and until now I used a protocol based on the amber tutorial on
the DNA duplex (http://ambermd.org/tutorials/advanced/tutorial4/). I was
reading the following paper (Bioinformatics, 2011, 27(17):2384-90) and I
was interested by the predefined 'restrainedMD.xml' protocol (Fig. 4) on
the AMPS-NMR portal on the weNMR grid. Is it possible to have the
complete description of this protocol? I don't find it for the moment.

Thanks,
Best regards.

Baptiste

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Received on Wed Jan 16 2013 - 06:00:05 PST
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