[gmx-users] Applied electric field on the pure water

2011-09-29 Thread Saeid Akbarshahi
The simulation box contains just water molecules ** water.pdb ** ATOM     1   OW  SOL    1       19.350   2.371   0.000  0.00  0.00              ATOM     2   HW1 SOL    1       18.600   2.951   0.000  0.00  0.00              ATOM     3   HW2 SOL    1       20.100   2.951   0.000  0.00  0.00      

[gmx-users] Applied electric field on the pure water

2011-09-29 Thread Saeid Akbarshahi
The simulation box contains just water molecules ** water.pdb ** ATOM     1   OW  SOL    1       19.350   2.371   0.000  0.00  0.00              ATOM     2   HW1 SOL    1       18.600   2.951   0.000  0.00  0.00              ATOM     3   HW2 SOL    1       20.100   2.951   0.000  0.00  0.00      

[gmx-users] Applied electric field on the pure water

2011-09-29 Thread Saeid Akbarshahi
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

[gmx-users] applied electric field on the pure water

2011-09-28 Thread Saeid Akbarshahi
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