Re: [Apbs-users] APOLAR only

[Nathan B. <ba...@cc...>]

It's always much easer to debug these problems if you provide the
input file as well.

Thanks,

Nathan

On Dec 14, 2007 12:19 PM, Raul Araya <ara...@gm...> wrote:
> Dear APBS users:
>
> Im triying ti calculate only the apolar solvation contribution using an .in
> file with the READ, APOLAR and PRINT statements, but I got the following
> message:
>
> Parsing input file Wt70_apol.in...
> NOsh_parseREAD:  Ignoring undefined keyword apol!
> NOsh_parseREAD:  Ignoring undefined keyword name!
> NOsh_parseREAD:  Ignoring undefined keyword sapol!
> NOsh_parseREAD:  Ignoring undefined keyword grid!
> NOsh_parseREAD:  Ignoring undefined keyword 0.1!
> NOsh_parseREAD:  Ignoring undefined keyword 0.1!
> NOsh_parseREAD:  Ignoring undefined keyword 0.1!
> NOsh_parseREAD:  Ignoring undefined mol format 1!
> NOsh_parseREAD:  Ignoring undefined keyword srfm!
> NOsh_parseREAD:  Ignoring undefined keyword sacc!
> NOsh_parseREAD:  Ignoring undefined keyword swin!
> NOsh_parseREAD:  Ignoring undefined keyword 0.3!
> NOsh_parseREAD:  Ignoring undefined keyword srad!
> NOsh_parseREAD:  Ignoring undefined keyword 1.4!
> NOsh_parseREAD:  Ignoring undefined keyword press!
> NOsh_parseREAD:  Ignoring undefined keyword 0.00!
> NOsh_parseREAD:  Ignoring undefined keyword gamma!
> NOsh_parseREAD:  Ignoring undefined keyword 0.00072!
> NOsh_parseREAD:  Ignoring undefined keyword bconc!
>  NOsh_parseREAD:  Ignoring undefined keyword 0.033!
> NOsh_parseREAD:  Ignoring undefined keyword sdens!
> NOsh_parseREAD:  Ignoring undefined keyword 100.0!
> NOsh_parseREAD:  Ignoring undefined keyword dpos!
> NOsh_parseREAD:  Ignoring undefined keyword 0.2!
> NOsh_parseREAD:  Ignoring undefined keyword temp!
> NOsh_parseREAD:  Ignoring undefined keyword 298.15!
> NOsh_parseREAD:  Ignoring undefined keyword calcenergy!
> NOsh_parseREAD:  Ignoring undefined keyword total!
> NOsh_parseREAD:  Ignoring undefined keyword calcforce!
> NOsh_parseREAD:  Ignoring undefined keyword no!
>
> as if the keywords for the calculation were not recognized...
>
> help me please...
>
> Raul Araya-Secchi
>
>
> -------------------------------------------------------------------------
> SF.Net email is sponsored by:
> Check out the new SourceForge.net Marketplace.
> It's the best place to buy or sell services
> for just about anything Open Source.
> http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.net/marketplace
> _______________________________________________
> apbs-users mailing list
> apb...@li...
> https://lists.sourceforge.net/lists/listinfo/apbs-users
>
>



-- 
Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology, Washington University in St. Louis
Web: http://cholla.wustl.edu/