On Thu, Oct 06, 2005, Ilyas Yildirim wrote:
>
> I have changed the source code of a couple of files in
> $AMBERHOME/src/sander directory to include a new mixing function, which
is
> different than (1-lambda)^klambda. There are two mixing subroutines, one
> is called as 'mix_frcti' and the other one is 'mix_evb'. The first one
is
> directly using the mixing function, and I have changed that subroutine
to
> include the new mixing function. Can someone inform me about the use of
> the second subroutine, mix_evb? I am not sure if I need to make any
> changes on that subroutine, too.
mix_evb is for empirical valence bond potentials. You don't need to do
anything with this.
Thanks for the other stuff. Do you have documentation for this? EIther
commit that to the CVS tree, or send me material in in form and I will
get it into the correct place.
...regards...dac
Received on Wed Apr 05 2006 - 23:49:52 PDT
