[gmx-users] electron density
jianhuitian at gmail.com
Sat Jan 1 00:57:48 CET 2011
Hi gmx users,
I tried to calculate both the mass density and electron density for the
water layer of a membrane simulation. The mass density is 1000 kg/m^3,
however the electron density I got is smaller than about 0.33 e/A^3. I am
using a CHARMM force field and the CHARMM version of TIP3P water. Am I doing
anything wrong when calculating the electron density? Thanks a lot.
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