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<TITLE>Re: [phenixbb] weight non-bonded contacts during rigid body refinement</TITLE>
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<FONT FACE="Calibri, Verdana, Helvetica, Arial"><SPAN STYLE='font-size:11pt'>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).<BR>
Best, <BR>
Kendall<BR>
<BR>
<BR>
On 5/6/10 1:46 PM, "Pavel Afonine" <<a href="PAfonine@lbl.gov">PAfonine@lbl.gov</a>> wrote:<BR>
<BR>
</SPAN></FONT><BLOCKQUOTE><FONT FACE="Calibri, Verdana, Helvetica, Arial"><SPAN STYLE='font-size:11pt'>Hi Kenneth,<BR>
<BR>
short answer: currently, no any restraints are used when you do rigid<BR>
body refinement only. There are pros and cons for this. Let me know if<BR>
you are interested in a long reply.<BR>
<BR>
Pavel.<BR>
<BR>
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On 5/6/10 2:46 AM, Kenneth Verstraete wrote:<BR>
> Dear all,<BR>
><BR>
> I wonder how I can set the weight for non-bonded contacts to zero to<BR>
> prevent clashes during rigid body refinement.<BR>
><BR>
> Thank you for your comments.<BR>
><BR>
> Kenneth Verstraete<BR>
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