From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Fri Nov 16 2012 - 13:48:37 CST
This line, for example, in the log file begs to differ:
Info: CROSSTERM ENERGY INCLUDED IN DIHEDRAL
CMAP has been in NAMD for many years now. This may be (or have been?) a mutator specific issue. If so, someone should check more closely that the plugin isn't generating additional superfluous cross terms.
On Nov 16, 2012, at 1:15 PM, Dr. Eddie wrote:
> does namd use the cross-terms in the psf file for its calculations or is it ignored?
> Stefan Franzen: claims it does not
> Anyone know for sure?
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:22:45 CST