# | Line 42 | Line 42 | molecule{ | |
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42 | } | |
43 | ||
44 | molecule{ | |
45 | + | name = "SHED"; |
46 | + | nAtoms = 1; |
47 | + | atom[0]{ |
48 | + | type = "SHED"; |
49 | + | position( 0.0, 0.0, 0.0 ); |
50 | + | orientation( 0.0, 0.0, 0.0 ); |
51 | + | } |
52 | + | } |
53 | + | |
54 | + | molecule{ |
55 | name = "TIP3P"; | |
56 | nAtoms = 3; | |
57 | atom[0]{ |
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