Hello Zhonghe--
>
> >> Then, I run script using xplor-nih 3.2 on PDB (SPIN.pdb) file
> >> containing single SPIN atom. The script is :
> >> ##########
> >> protocol.initTopology("SPIN.top")
> >> protocol.initParams("SPIN.par")
> >>
> >> protocol.loadPDB('SPIN.pdb') # "ATOM 6721 OV SPIN 1 35.014
> >> 8.744 -4.057 1.00 0.00 186"
> >>
> >>
> >> #################
> >> I got error message:
> >>
> >>"loading pdb file: SPIN.pdb seqToPSF: Warning: unsupported sequence type:
> >>unknown: SPIN
>
> >This indicates that there is a nonstandard residue type, which is
> >true, and it means that you will need to either generate PSF info some
> >other way - like you tried.
>
> >you can see examples in the eginput/PSF_generate directory in the
> >Xplor-NIH distribution.
>
>
> Sorry for the delayed response. The problem has been solved. thank
> you for your suggestions.
Thanks for the good news.
Charles
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