solvent.lt
12150ffa7397lammm-devel

solvent.lt
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			###################### SOLVENT #########################

			import "solvent_single.lt"

			# Fill the simulation box with a solvent.
			# In this example, the solvent is made of many
			# copies of "MoleculeA" (which has only one atom).

			solvent = new MoleculeA [12].move(3.0,0,0)
			[12].move(0,3.0,0)
			[12].move(0,0,3.0)

			# To start with a reasonable conformation, it's a good idea to delete the
			# solvent where the walls or the polymer is going to be. Here we do it manually:

			delete solvent[][][2] # <-- 1st wall will go here
			delete solvent[][][8] # <-- 2nd wall will go here
			delete solvent[6-7][0-8][5-6] # <-- polymer will go here

			# Alternate notation:
			# [a:b] notation also works, however the "b" is a strict upper bound...
			# ...hence the last line is equivalent to "delete solvent[6:8][0:9][5:7]"
			# [a*b] notation also works, and is equivalent to [a-b]