[adf-list] adflist摘要,第45卷,问题6

Marcel Swart. Marcel.Swart在Udg.edu.
1月13日星期六12:57:17 CET 2018

This should be easy to be transformed into the ff files that ADF expects.
See: //www.tofoba.com/doc/QMMM/ADF_QMMM/The_Force_Field_File.html

The ClayFF parameters:
(always check with the original publication)

> Hi, 
> Please do anyone have CLAYFF forcefield for ADF. I am working on hydrotalcites and need to use the
> forcefield. 
> Thanks in advance for your help.
> Mathew.
> _______________________________________________
> ADFlist mailing list
> ADFlist at scm.com
> //lists.tofoba.com/mailman/listinfo/adflist
 Marcel Swart.  FRSC FYAE, Prof. Dr.
ICREA Research Professor at University of Girona
Chair of the Young Academy of Europe
Director of Institut de Química Computacional i Catàlisi

Univ. Girona, Campus Montilivi (Ciències)
c/ Maria Aurèlia Capmany i Farnés, 69
17003 Girona, Spain

marcel.swart at gmail.com