Using GAFF (general amber force field) to optimize butane, it's giving a C-C-C 
angle of 131.1 degrees however UFF and MMFF give an angle of 111.1 degrees.  Is 
this a problem with the force field of am I not understanding something?

Thanks.
                                          
------------------------------------------------------------------------------
How fast is your code?
3 out of 4 devs don\\\'t know how their code performs in production.
Find out how slow your code is with AppDynamics Lite.
http://ad.doubleclick.net/clk;262219672;13503038;z?
http://info.appdynamics.com/FreeJavaPerformanceDownload.html
_______________________________________________
Avogadro-Discuss mailing list
Avogadro-Discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/avogadro-discuss

Reply via email to