RE: amber-developers: Block of ice

From: Yong Duan <>
Date: Mon, 11 Apr 2005 13:22:08 -0700

I have been asked to comment on this, still a bit puzzled by the
Glad it is no longer a problem :)


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.

Received on Wed Apr 05 2006 - 23:49:58 PDT
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