Re: [AMBER] rigid body simulation

From: Ilyas Yildirim <>
Date: Thu, 15 Mar 2012 14:36:48 -0500 (CDT)

> On Thu, Mar 15, 2012, Qian Wang wrote:
>> I am a user of Amber 10. Is there any way I can fix the configuration
>> of a protein but the protein can still move translationally and
>> rotationally like a rigid body? Thanks a lot.
> No. One implementation of this idea will be available in Amber 12.
> ....dac

Dave - It should be possible to use NMR dihedral restraints to restrain
the backbone of protein, which will allow translational and rotational
motion of the whole molecule while keeping the global conformation of
the molecule in a particular orientation.


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Received on Thu Mar 15 2012 - 13:00:04 PDT
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