Make water box

import molsysmt as msm
from molsysmt import pyunitwizard as puw
import numpy as np

box = np.zeros((3,3))
box[0,0] = 5.0
box[1,1] = 5.0
box[2,2] = 3.0
box = msm.pyunitwizard.quantity(box, 'nm')

molsys = msm.build.make_water_box(box)

msm.info(molsys)

form	n_atoms	n_groups	n_components	n_chains	n_molecules	n_entities	n_waters	n_structures
molsysmt.MolSys	7608	2536	2536	1	2536	1	2536	1

coordinates = msm.get(molsys, coordinates=True)

coordinates[0,:,0].min()

-0.04996999999999996 nanometer

coordinates[0,:,1].min()

-0.06996999999999987 nanometer

coordinates[0,:,2].min()

-0.05296999999999996 nanometer

coordinates[0,:,0].max()

5.07115 nanometer

coordinates[0,:,1].max()

5.03215 nanometer

coordinates[0,:,2].max()

3.06909 nanometer