Dear users
The simulation box contains just water molecules
---- Commands ----
pdb2gmx -f water.pdb -posrefc 0
Force Field : AMBER99SB-ILDN - Water TIP3P
editconf -f conf.gro -bt cubic -box 5 5 5
genbox -cp out.gro -cs spc216.gro -o 5.gro -p topol.top
grompp -f min.mdp -c 5.gro -p topol.top
mdrun -s topol.tpr
grompp -f md.mdp -c confout.gro -p topol.top -o md.tpr
mdrun -s md.tpr
1. Whether is correct simulation pure water ?
2.Chart potential 170 ns.png (attach) shows the electric field 0.003 v/nm
!? whereas applied electric field 0.000001 v/nm in md.mdp(attach).
Do I wrong in the applied electric field 1000 v/m ?
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