Hello Mukundan--
>
> I am attempting to refine an NMR structure containing phosphoserine
> residue. Unfortunately, my attempts fail with the following error -
>
> POWELL: number of degrees of freedom= 23436
> %CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%%
> target angle value missing.
> ATOM1: SEGId="A ", RESId="189 ", NAME="HB1 ", CHEMical="HA "
> ATOM2: SEGId="A ", RESId="189 ", NAME="CB ", CHEMical="CH2E"
> ATOM3: SEGId="A ", RESId="189 ", NAME="OG ", CHEMical="OHP "
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %CODANG-ERR: missing angle parameters %%%%%%%%%%%%%%%%%%%%%%%%
> target angle value missing.
> ATOM1: SEGId="A ", RESId="189 ", NAME="HB2 ", CHEMical="HA "
> ATOM2: SEGId="A ", RESId="189 ", NAME="CB ", CHEMical="CH2E"
> ATOM3: SEGId="A ", RESId="189 ", NAME="OG ", CHEMical="OHP "
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
> Looking at the parameter file, I see that this angle is defined.
>
> From protein0-4.0.par:
>
> ANGLe HA CH2E OHP $kang {sd= 0.031} 108.6930 ! SEP, as in SER
> (GAB 24-MAY-2017)
>
>
This is indeed odd. It seems that somehow you are not using the
default (in Xplor-NIH 3.8, 3.9) parameters. Is there some
customization in your script which might be causing this?
Charles
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