1 |
gezelter |
397 |
molecule{ |
2 |
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3 |
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name = "simpleLipid_16"; |
4 |
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nAtoms = 17; |
5 |
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6 |
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atom[0]{ |
7 |
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type = "HEAD"; |
8 |
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position( 0.0, 1.01479, 0.65901 ); |
9 |
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orientation( 0.0, 0.0, 1.0 ); |
10 |
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} |
11 |
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atom[1]{ |
12 |
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type = "CH2"; |
13 |
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position( 0.0, -0.8387, -1.292 ); |
14 |
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} |
15 |
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atom[2]{ |
16 |
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type = "CH2"; |
17 |
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position( 0.0, 0.0, -2.584 ); |
18 |
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} |
19 |
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atom[3]{ |
20 |
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type = "CH2"; |
21 |
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position( 0.0, -0.8387, -3.876 ); |
22 |
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} |
23 |
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atom[4]{ |
24 |
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type = "CH2"; |
25 |
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position( 0.0, 0.0, -5.168 ); |
26 |
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} |
27 |
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atom[5]{ |
28 |
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type = "CH2"; |
29 |
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position( 0.0, -0.8387, -6.46 ); |
30 |
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} |
31 |
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atom[6]{ |
32 |
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type = "CH2"; |
33 |
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position( 0.0, 0.0, -7.752 ); |
34 |
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} |
35 |
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atom[7]{ |
36 |
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type = "CH2"; |
37 |
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position( 0.0, -0.8387, -9.044 ); |
38 |
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} |
39 |
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atom[8]{ |
40 |
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type = "CH2"; |
41 |
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position( 0.0, 0.0, -10.336 ); |
42 |
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} |
43 |
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atom[9]{ |
44 |
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type = "CH2"; |
45 |
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position( 0.0, -0.8387, -11.628 ); |
46 |
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} |
47 |
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atom[10]{ |
48 |
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type = "CH2"; |
49 |
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position( 0.0, 0.0, -12.92 ); |
50 |
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} |
51 |
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atom[11]{ |
52 |
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type = "CH2"; |
53 |
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position( 0.0, -0.8387, -14.212 ); |
54 |
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} |
55 |
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atom[12]{ |
56 |
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type = "CH2"; |
57 |
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position( 0.0, 0.0, -15.504 ); |
58 |
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} |
59 |
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atom[13]{ |
60 |
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type = "CH2"; |
61 |
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position( 0.0, -0.8387, -16.796 ); |
62 |
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} |
63 |
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atom[14]{ |
64 |
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type = "CH2"; |
65 |
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position( 0.0, 0.0, -18.08 ); |
66 |
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} |
67 |
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atom[15]{ |
68 |
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type = "CH2"; |
69 |
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position( 0.0, -0.8387, -19.38 ); |
70 |
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} |
71 |
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atom[16]{ |
72 |
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type = "CH3"; |
73 |
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position( 0.0, 0.0, -20.672 ); |
74 |
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} |
75 |
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76 |
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nBonds = 16; |
77 |
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78 |
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bond[0]{ |
79 |
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members( 0, 1 ); |
80 |
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} |
81 |
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bond[1]{ |
82 |
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members( 1, 2 ); |
83 |
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} |
84 |
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bond[2]{ |
85 |
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members( 2, 3 ); |
86 |
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} |
87 |
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bond[3]{ |
88 |
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members( 3, 4 ); |
89 |
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} |
90 |
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bond[4]{ |
91 |
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members( 4, 5 ); |
92 |
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} |
93 |
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bond[5]{ |
94 |
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members( 5, 6 ); |
95 |
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} |
96 |
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bond[6]{ |
97 |
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members( 6, 7 ); |
98 |
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} |
99 |
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bond[7]{ |
100 |
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members( 7, 8 ); |
101 |
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} |
102 |
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bond[8]{ |
103 |
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members( 8, 9 ); |
104 |
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} |
105 |
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bond[9]{ |
106 |
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members( 9, 10 ); |
107 |
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} |
108 |
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bond[10]{ |
109 |
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members( 10, 11 ); |
110 |
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} |
111 |
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bond[11]{ |
112 |
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members( 11, 12 ); |
113 |
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} |
114 |
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bond[12]{ |
115 |
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members( 12, 13 ); |
116 |
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} |
117 |
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bond[13]{ |
118 |
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members( 13, 14 ); |
119 |
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} |
120 |
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bond[14]{ |
121 |
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members( 14, 15 ); |
122 |
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} |
123 |
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bond[15]{ |
124 |
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members( 15, 16 ); |
125 |
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} |
126 |
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127 |
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nBends = 15; |
128 |
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|
129 |
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bend[0]{ |
130 |
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members( 0, 1, 2 ); |
131 |
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} |
132 |
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bend[1]{ |
133 |
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members( 1, 2, 3 ); |
134 |
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} |
135 |
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bend[2]{ |
136 |
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members( 2, 3, 4 ); |
137 |
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} |
138 |
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bend[3]{ |
139 |
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members( 3, 4, 5 ); |
140 |
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} |
141 |
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bend[4]{ |
142 |
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members( 4, 5, 6 ); |
143 |
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} |
144 |
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bend[5]{ |
145 |
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members( 5, 6, 7 ); |
146 |
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} |
147 |
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bend[6]{ |
148 |
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members( 6, 7, 8 ); |
149 |
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} |
150 |
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bend[7]{ |
151 |
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members( 7, 8, 9 ); |
152 |
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} |
153 |
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bend[8]{ |
154 |
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members( 8, 9, 10 ); |
155 |
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} |
156 |
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bend[9]{ |
157 |
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members( 9, 10, 11 ); |
158 |
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} |
159 |
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bend[10]{ |
160 |
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members( 10, 11, 12 ); |
161 |
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} |
162 |
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bend[11]{ |
163 |
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members( 11, 12, 13 ); |
164 |
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} |
165 |
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bend[12]{ |
166 |
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members( 12, 13, 14 ); |
167 |
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} |
168 |
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bend[13]{ |
169 |
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members( 13, 14, 15 ); |
170 |
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} |
171 |
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bend[14]{ |
172 |
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members( 14, 15, 16 ); |
173 |
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} |
174 |
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|
175 |
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nTorsions = 14; |
176 |
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|
177 |
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torsion[0]{ |
178 |
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members( 0, 1, 2, 3 ); |
179 |
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} |
180 |
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torsion[1]{ |
181 |
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members( 1, 2, 3, 4 ); |
182 |
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} |
183 |
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torsion[2]{ |
184 |
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members( 2, 3, 4, 5 ); |
185 |
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} |
186 |
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torsion[3]{ |
187 |
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members( 3, 4, 5, 6 ); |
188 |
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} |
189 |
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torsion[4]{ |
190 |
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members( 4, 5, 6, 7 ); |
191 |
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} |
192 |
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torsion[5]{ |
193 |
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members( 5, 6, 7, 8 ); |
194 |
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} |
195 |
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torsion[6]{ |
196 |
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members( 6, 7, 8, 9 ); |
197 |
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} |
198 |
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torsion[7]{ |
199 |
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members( 7, 8, 9, 10 ); |
200 |
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} |
201 |
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torsion[8]{ |
202 |
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members( 8, 9, 10, 11 ); |
203 |
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} |
204 |
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torsion[9]{ |
205 |
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members( 9, 10, 11, 12 ); |
206 |
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} |
207 |
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torsion[10]{ |
208 |
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members( 10, 11, 12, 13 ); |
209 |
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} |
210 |
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torsion[11]{ |
211 |
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members( 11, 12, 13, 14 ); |
212 |
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} |
213 |
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torsion[12]{ |
214 |
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members( 12, 13, 14, 15 ); |
215 |
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} |
216 |
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torsion[13]{ |
217 |
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members( 13, 14, 15, 16 ); |
218 |
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} |
219 |
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} |
220 |
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