AMBER Archive (2006)

Subject: Re: AMBER: use_pme=0 problem

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Fri May 26 2006 - 15:32:35 CDT

> But this error accumulates as the simulation running.

Trajectories diverge based on small differences. If the
difference is allowable, the divergence is also allowable.

The only true check is to run two very long simulations
and compare statistics.

Bill
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