Hi
I have got J coupling information from my DQF-COSY experiments (for phi
and chi). Can i use them as it is in my refining script without converting
to dihedrals?
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.
Thanks for your time!!!
Sheeja.
