Thanks!
I have been asked to comment on this, still a bit puzzled by the
explanations.
Glad it is no longer a problem :)
yong
**********
Mostly, Amber now has much better energy conservation than in the past
(when cutoffs were used more the PME). In fact, for many simulations,
setting ntt=0, or at least setting tautp to quite a large value, is
fine, and avoids the problems being considered here.
...dac
Received on Wed Apr 05 2006 - 23:49:58 PDT
