Hi Charles:
>> 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.
Regards
Zhonghe Xu
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