There must be loads of crystal structures in the Cambridge Structural
Database containing arsenate, which will obviously give you some
I suggest that you go take a look. For introduction see:
You can then use XPLO2D (Uppsala) to get XPLOR parameter and topology
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
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?
>> Diao Jiasheng