[phenixbb] weight non-bonded contacts during rigid body refinement
knettles at scripps.edu
Thu May 6 11:12:04 PDT 2010
Hi Pavel, I am interested in hearing more. I'd like to do rigid body refinement on a single helix and have it tethered at two locations (the backbone on one end, and a disulfide bond with a sym mate on the other).
On 5/6/10 1:46 PM, "Pavel Afonine" <PAfonine at lbl.gov> wrote:
short answer: currently, no any restraints are used when you do rigid
body refinement only. There are pros and cons for this. Let me know if
you are interested in a long reply.
On 5/6/10 2:46 AM, Kenneth Verstraete wrote:
> Dear all,
> I wonder how I can set the weight for non-bonded contacts to zero to
> prevent clashes during rigid body refinement.
> Thank you for your comments.
> Kenneth Verstraete
> phenixbb mailing list
> phenixbb at phenix-online.org
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