Some conventions#
The base units of MAICoS are consistent with those of MDAnalysis. Keeping inputs and outputs consistent with this set of units reduces ambiguity, so we encourage everyone to use them exclusively.
The base units are:
quantity |
unit |
SI units |
|---|---|---|
length |
Å |
\(10^{-10}\) m |
mass |
u |
\(1.660538921 \times 10^{-27}\) kg |
time |
ps |
\(10^{-12}\) s |
energy |
kJ/mol |
\(1.66053892103219 \times 10^{-21}\) J |
charge |
\(e\) |
\(1.602176565 \times 10^{-19}\) As |
force |
kJ/(mol·Å) |
\(1.66053892103219 \times 10^{-11}\) J/m |
speed |
Å/ps |
\(100\) m/s |