arsenate topology and parameter files

[Mark Banfield]

Dear Diao,

There must be loads of crystal structures in the Cambridge Structural
Database containing arsenate, which will obviously give you some 
co-ordinates.
I suggest that you go take a look. For introduction see:

http://www.ccdc.cam.ac.uk/

You can then use XPLO2D (Uppsala) to get XPLOR parameter and topology
files.

If you have any problems getting hold of the co-ordinates, drop me and
email and I'll retrieve them for you from the database and mail you
back.


Mark Banfield @ the University of Bristol, UK



Diao Jia-Sheng wrote:
> 
> Dear all:
> 
>     I'd like to get arsenate (AsO4) topology and parameter files.
>     I could not find them on http://atb.csb.yale.edu/hetero/
>     Maybe I need a set of arsenate coordinates and use Uppsala XDICT Server
>     to generate arsenate topology and parameter files.
>     Where can I get a set of arsenate coordinates?
> 
> Sincerely,
> 
> Diao Jiasheng
> 
> --
>