From: Jose Borreguero (borreguero_at_gmail.com)
Date: Mon Aug 26 2013 - 08:24:32 CDT
Dear NAMD gurus,
I am several NPT equilibrium simulations with langevinPistonPeriod=100 and
langevinDamping=0.1 (manual recommends langevinDamping=5) because I wanted
a light coupling of the system with the thermal bath.
A few of the simulations aborted with the following message:
"ERROR: Atoms moving too fast; simulation has become unstable."
Could a small damping coefficient lead to such errors? If so, what would be
the scenario giving rise to some atom moving too fast?
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