[gmx-users] Density Deferences between spc216 and tip4p water models
csreddy at ncbs.res.in
csreddy at ncbs.res.in
Thu Dec 13 07:16:52 CET 2007
Dear All,
I was trying create a box (cubic 10 10 10) of water. I am a bit
surprised by looking at the density deferences between spc216 and tip4p
water models. I am giving the brief output below.
genbox -cs tip4p.gro -box 10 10 10
Output configuration contains 131540 atoms in 32885 residues
Volume : 1000 (nm^3)
Density : 1639.65 (g/l)
Number of SOL molecules: 32885
genbox -cs spc2i6.gro -box 10 10 10
Output configuration contains 99678 atoms in 33226 residues
Volume : 1000 (nm^3)
Density : 993.966 (g/l)
Number of SOL molecules: 33226
What would be the reason for this drastic differences in density? How can
I make it into 1000 (g/l) by using above command.
Thanks in advance.
Regards
Chandu
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