Re: [Apbs-users] charge.dx has all zero value

[Nathan A. B. <ba...@ch...>]

Dear Dr. Yang --

I'm not sure why this is happening; I can't reproduce it on my
test cases.  Can you please confirm that the calculation box of
interest is centered on the biomolecule?  Also, can you please run the
apbs/examples/misc/apbs.in test case with the charge I/O uncommented
and see if you obtain the same zero results?

Thanks,

Nathan Baker

dyyang <dy...@po...> (04-14-2003 08:35:05+0800):
>Hi,
>I used the attached file to calculate the charge density distribution.
>However, I get the zero value of the charge.dx.  Any suggestion to fix
>this problem ?  Best regards.
>
>--
>--------------------------
>Sincerely Yours
>
> Dr.  Dah-Yen Yang
>
>Institute of Atomic and Molecular Science
>Academia Sinica, Taipei, Taiwan
>
>Tel:886-2-2366-8239
>Fax:886-2-2362-0200
>E-mail:dy...@po...
>http://www.iams.sinica.edu.tw/lab/dyyang/indexa.html
>


End of message from dyyang.

--=20
Nathan A. Baker, Assistant Professor
Washington University in St. Louis School of Medicine
Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology
700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110
Phone:  (314) 362-2040, Fax:  (314) 362-0234
URL:  http://www.biochem.wustl.edu/~baker
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