Hi, all,
The code to calculate the density of the simulated system in Sander is like
"totener%density = tmass / (0.602204d0*volume)". The constant parameter of
0.602204d0 in this equation should be the inverse of the atomic mass unit.
Using the atomic mass unit of 1.660538782(83)e-27 kg which is suggested by
NIST, this parameter should be 0.602214d0.
Jun
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Received on Fri Apr 29 2011 - 12:30:03 PDT
