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Hello Sheeja--
> When I do it I get the following error messages in the out file.
>
>
> refine.py(66): jCoup = create_JCoupPot("jcoup","jna.tbl",
> refine.py(67): A=6.51,B=-1.76,C=1.6,phase=-60.0)
> refine.py(68): jCoup = create_JCoupPot("jcoup2","jcacb.tbl",
> refine.py(69): A=9.5,B=-1.6,C=1.8,phase=0.0)
> selection D must contain one atom.
> selection string:
> selection D must contain one atom.
> selection string:
> JCoupPot::addRestraints: error adding restraint.
>
It seems that something is wrong with your restraint table
(jna.tbl). Xplor-NIH sees only three out of four atom selections for one
or more ASSIgn statements. Please check these.
best regards--
Charles
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