Follow-up Comment #5, sr #2998 (project relax):
Hi Edward,
Thank you very much for your answers. I have add H atoms to 1RTE.pdb by
program reduce, and get 1RTE_H.pdb, after that, I delete all the "CONECT
records" in 1RTE_H.pdb, and get 1RTE_H_trunc.pdb. And run
dauvergne_protocol.py again, this time, the RelaxError: The keyword argument
'sampleconditions' is unknown.
Attached please find the file 1RTE_H.pdb,
1RTE_H_trunc.pdb,dauvergne_protocol.py, log0131. Thank you.
Regards,
Mengjun
(file #17073, file #17074, file #17075, file #17076)
_______________________________________________________
Additional Item Attachment:
File name: 1RTE_H.pdb Size:203 KB
File name: 1RTE_H_trunc.pdb Size:175 KB
File name: dauvergne_protocol.py Size:11 KB
File name: log0131 Size:31 KB
_______________________________________________________
Reply to this item at:
<http://gna.org/support/?2998>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-devel mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel
