Dear amber users
I am confused about the effect of number of solvent molecules on the
density of solvent. In my test I have used density of solvent as 0.787
gm/cm3 for the calculation of cell size. I have runn NPT over my system
with varying number of solvent molecules. I observed that the density of
solvent found high after 3000ps NPT runn (equilibration of density) as 0.82
gm/cm3 using 32 solvent molecules, while using 64 solvent molecule it was
around 0.78 gm/cm3, using128 solvent molecule it was around 0.77 gm/cm3,
using 512, 1024 and 2048 solvent molecules it was around 0.76 gm/cm3.
Please help regarding it.
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Received on Tue Jan 06 2015 - 05:30:03 PST
