Switching Function

From: Jason O'Young (joyoung_at_uwo.ca)
Date: Thu Sep 20 2007 - 13:00:10 CDT

Hi All,

I set my switchdist to 0.01 and my cutoff to 10.

I am not too sure how the switching function would look like, but is
there a danger of the function being entirely positive?

For an example of what I mean, see this picture from the users guide:
http://www.ks.uiuc.edu/Research/namd/2.6/ug/img14.png

If the switching was to begin at such a low value, would the function
just proceed from infinitely positive to 0? Or would the general form
of the potential function be "squeezed"?

Thanks in advance!
Jason

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:16 CST