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import "spc.lt" # <- defines the "SPC" (water) molecule type (uses OPLSAA)
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# Periodic boundary conditions:
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write_once("Data Boundary") {
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# The next command generates a (rather dense) cubic lattice with
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# spacing 3.45 Angstroms. (The pressure must be equilibrated later.)
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waters = new SPC [12].move(0.00, 0.00, 3.45)
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[12].move(0.00, 3.45, 0.00)
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[12].move(3.45, 0.00, 0.00)