ADL: erorr

AM Caniard A.M.Caniard at sms.ed.ac.uk
Mon May 19 07:57:32 PDT 2008


Hi,

I have the same error messages, could anyone please also help me?

Thank you

Anne Caniard


Quoting Praveen Singh <praveenbt2004 at gmail.com>:

> Dear friends,
> any help me that
> I received an error saying
>  "eval.cc: ERROR! energy is infinite"
>  and another saying
>  "eval.cc: ERROR! energy is not a number"
>  in the autodock output file that's followed by a list
>  of atoms in the ligand designated as INF or NaN. Why
>  is this so? Though the errors are there, autodock is
>  running fine.
>  Someone asked on sidechains flexibility of protein
>  during docking before and I understood that it's not
>  possible with autodock but is it possible to have only
>  a certain range of residues to have such flexibility?
>  And if not, what other available docking softwares
>  that would be able to do just that?
>  please help how to ignore this error plzzzzzzzzzz
> --
> Praveen Kumar Singh
> Deptt of Bioinformatics
> NIT Bhopal
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>
>



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