Hi,
Does anyone know how the density output in a NPT simulation (constant
pressure temperature) is calculated?
I used the formula:
(density in N/V)*10*weight/6.022 = density in g/mL where weight is the
molecular weight (eg. weight_water=18)
This does not seem to give me the correct density that is outputted!
Thanks,
Grace
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Received on Wed Aug 25 2004 - 15:53:01 PDT
