# Create a box of TIP3P water with a hole for a Na+ ion in the center. # Load AMBER '96 forcefield for protein. source leaprc.ff96 # Create a container with a single sodium ion. system = sequence { Na+ } # Solvate in water box. solvateBox system TIP3PBOX 10.0 iso # Remove ion. remove system system.1 # Check sytem. check system # Write parameters. saveAmberParm system system-central.prmtop system-central.crd # Exit quit