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
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
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
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
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