On Tue, Oct 18, 2005, Ilyas Yildirim wrote:
>
> Sorry for the late reply. I was busy with moving to a new apartment, so
> could not check out my emails regularly. The purpose of this
modification
> was to use the dummy atoms in the initial state, too. According to AMBER
> 8, we can have dummy atoms at the final state. We (me and Dr. Harry
Stern
> from U of R, Dept. of Chemistry) tried to mimic the smooth transition of
> the original mixing function, (1-lambda)^klambda, around lambda=0,
too....
Thanks for the the info. I've put this into amber9/doc/sander.me. You
can
check to see if it looks OK.
...regards...dac
Received on Wed Apr 05 2006 - 23:49:52 PDT
