- ...GFLOPS
- 4#4 FLoating point
Operations Per Second
- ...interactions
- We did not include an
angle torsion potential.
- ...structure
- More accurately,
that is a set
of mutually similar conformational substates.
- ...temperature
- We chose an average absolute charge
of 14#14e, which, accidentally, corresponds
to the average value found in more realistic protein models.
- ...out
- Part of these 232 simulations
were carried out using modified Verlet integration algorithms, as described
in Refs. Grubmuller91,Grubmuller93b.
However, we do not consider these algorithmic
differences to seriously affect our results.
Helmut Grubmueller
Mon Nov 6 16:25:56 MET 1995