Re: [Apbs-users] hi，apbs users！I am confused on this , please help me if U know

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

Hello --

That is very strange; not at all what I would expect from these  
calculations.  Would you mind sending the PQR and input file so I can  
see how you've set the problem up?

Thanks,

Nathan

On Jul 15, 2009, at 10:08 PM, 侯云甫 wrote:

> APBS USERS:
>
> I have calculated the solvation energy of  20 PDB molecules with  
> APBS, and  use different  mesh size .
> The results turn out to be exact the same when the mesh size are   
> 1.5  1.2  1.0  0.8 angstrom on most molecules.
>
> I wonder why is it?
> Is APBS consider any mesh size bigger than 1.0 angstrom as 1.0  
> angstrom ?
>
> IF you know it ,please tell me! Thank you very much!
>
> PS: the results of 1ajj (PDB ID)
>
> Pdb
> software
> 1.5
> 1.2
> 1
> 0.8
> 0.6
> 0.5
> 0.4
> 0.3
> 0.2
> 1ajj
> APBS
> -539.42
> -539.42
> -539.42
> -539.42
> -564.49
> -563.7
> -558.31
> -554.42
> -551.52
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--
Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Director, Computational and Molecular Biophysics Graduate Program
Center for Computational Biology, Washington University in St. Louis
Web: http://bakergroup.wustl.edu/