BMB potential in Cp2K
Matt W
MattWa... at gmail.com
Wed Oct 1 15:35:10 UTC 2014
Exponential / r^-6 potential is called Williams in CP2K might do what you
want.
CP2K_INPUT <http://manual.cp2k.org/trunk/CP2K_INPUT.html> / FORCE_EVAL
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / MM
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM.html> / FORCEFIELD
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD.html> /
NONBONDED
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED.html>
/ WILLIAMS
<http://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/WILLIAMS.html>
What is the history with the Williams (shows ignorance)??
Matt
On Wednesday, October 1, 2014 10:38:27 AM UTC+1, Getachew Gizaw wrote:
>
>
> Hi all,
> I am quit beginner for cp2k and Classical MD world. Does
> Born–Meyer–Buckingham (BMB) potential implemented in cp2k? I can't find the
> key word for BMB potential in the manual.
>
> Any help? Thanks a lot for your help!
>
>
> /Getachew
>
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