Thanks a lot Nat , I will manually edit the ncs.params file to add the correct syntax for the ncs group<div><br></div><div>Also thanks for the tips on checking and editing the *.eff file before running.</div><div>Once you have a patched nightly , I will switch to that build..</div>
<div><br></div><div>Thanks again</div><div>Hari</div><div><br></div><div><br><br><div class="gmail_quote">On Thu, Mar 25, 2010 at 1:01 PM, Nathaniel Echols <span dir="ltr"><<a href="mailto:NEchols@lbl.gov">NEchols@lbl.gov</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im">On Mar 25, 2010, at 3:58 AM, hari jayaram wrote:<br>
> Hi I am quite sure I am doing something wrong , but the refinement seems to always re-determine the NCS definitions despite it being set in the ncs.params file in the project defaults directory.<br>
><br>
</div><div class="im">> Any idea why I cannot get the gui run refinement to remember my ncs definitions.<br>
<br>
</div>Aha - the problem is that the parameters I'm getting from the NCS group editor are incomplete. The file it writes out will look like this:<br>
<br>
restraint_group {<br>
reference = "chain A and resseq 1:100"<br>
selection = "chain B and resseq 1:100"<br>
coordinate_sigma = 0.05<br>
b_factor_weight = 10<br>
}<br>
<br>
It needs the fully qualified "path" of the restraint_group section, however. Edit ncs.params to look like this:<br>
<br>
refinement.ncs {<br>
restraint_group {<br>
[snip]<br>
}<br>
}<br>
<br>
That should fix the problem (and I'll see if we can get a patched installer built ASAP). Sorry, I think I broke this last month attempting to repair something else.<br>
<br>
-Nat<br>
<div class="im"><br>
-------------------<br>
Nathaniel Echols<br>
Lawrence Berkeley Lab<br>
510-486-5136<br>
<a href="mailto:NEchols@lbl.gov">NEchols@lbl.gov</a><br>
<br>
<br>
<br>
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