Re: [AMBER] Distance restraints

From: case <>
Date: Mon, 7 Feb 2011 14:06:54 -0500

On Mon, Feb 07, 2011, Beale, John wrote:
> I am trying to set up some distance restraints for a homodimeric
> protein. One monomer is designated "A", and the other is designated "B".
> I am having trouble creating the "7col.dist" file. Two lines from my
> file are given below:
> 63A GLY CA 60B ILE CD1 4.0
> 60A ILE CD1 63B GLY CA 3.6

This won't work. Residue numbers need to be the "Amber" residue numbers, that
start from 1 and continue to increase, even across chains. Use ambpdb to
create you pdb file, and take the residue numbers from that.


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Received on Mon Feb 07 2011 - 11:30:06 PST
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