[Xplor-nih] hydrogen bonds

[R. Bryn Fenwick]

I am using the python interface for xplor and have managed to get hydrogen
bond errors when I try to analyse the Hbond term:

 %HBONDS2-ERR: no hydrogen-bond parameters for donor type=NH1
                acceptor-type=O
 %HBONDS2-ERR: no hydrogen-bond parameters for donor type=NH1
                acceptor-type=O
 %HBONDS2-ERR: no hydrogen-bond parameters for donor type=NH1
                acceptor-type=O
 %HBONDS2-ERR: missing hydrogen bond parameters
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 BOMLEV=    0 reached.  Program execution will be terminated.

I am not sure exactly how to get around this as most of these errors again
seem to have come from my ligand.

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        R. Bryn Fenwick                Department of Biochemistry,
        rbf22 at cam.ac.uk                University of Cambridge,
        bryn.fenwick at cantab.net        80 Tennis Court Road,
        Tel: +44 1223 766018           Old Addenbrookes Site,
        Fax: +44 1223 766002           Cambridge, CB2 1GA, UK.
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