On Sat, Apr 24, 2004, Robert Duke wrote:
> In my opinion, the approach of updating the pair list at fixed intervals is
> outmoded.
Bob is correct, except that fixed pair list updates are still needed for
minimization, which is why such code is still there in sander. And everything
is set correctly automatically: there is generally no need for a user to
change the defaults. (An experienced user might occasionally do so for
debugging...)
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sat Apr 24 2004 - 21:53:01 PDT
