[gmx-users] density of zinc

Budiono yen_ono at yahoo.com
Tue Aug 2 18:15:07 CEST 2005


Hi all.
 
I am trying to simulate interactions between solid walls and solvents.
First, i made model for solid and i used zinc as the material and i used ffgmx Gromacs forcefield because i found the zinc residue in ffgmx.rtp file
 
then when i calculated the density of zinc using g_density , i got somewhat strange result : 
              box (nm)          density (kg/m3)
000.37156800.743136317.4031.1147486.6831.48627550.1641.85784550.1642.22941486.6832.60098317.4032.9725403.344110


as i know the density of zinc is around 7000 kg/m3, isn't it ?? i used "freezegrps" options.

so, does anyone know how to deal with this problem ???

thanks a lot

Budiono  

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