samples/lipid/lipid.md

molecule{
  
  name = "simpleLipid_16";
  

  atom[0]{
    type = "HEAD";
    position( 0.0, 1.01479, 0.65901 );
    orientation( 0.0, 0.0, 0.0 );
  }
  atom[1]{
    type = "CH2";
    position( 0.0, -0.8387, -1.292 );
  }
  atom[2]{
    type = "CH2";
    position( 0.0, 0.0, -2.584 );
  }
  atom[3]{
    type = "CH2";
    position( 0.0, -0.8387, -3.876 );
  }
  atom[4]{
    type = "CH2";
    position( 0.0, 0.0, -5.168 );
  }
  atom[5]{
    type = "CH2";
    position( 0.0, -0.8387, -6.46 );
  }
  atom[6]{
    type = "CH2";
    position( 0.0, 0.0, -7.752 );
  }
  atom[7]{
    type = "CH2";
    position( 0.0, -0.8387, -9.044 );
  }
  atom[8]{
    type = "CH2";
    position( 0.0, 0.0, -10.336 );
  }
  atom[9]{
    type = "CH2";
    position( 0.0, -0.8387, -11.628 );
  }
  atom[10]{
    type = "CH2";
    position( 0.0, 0.0, -12.92 );
  }
  atom[11]{
    type = "CH2";
    position( 0.0, -0.8387, -14.212 );
  }
  atom[12]{
    type = "CH2";
    position( 0.0, 0.0, -15.504 );
  }
  atom[13]{
    type = "CH2";
    position( 0.0, -0.8387, -16.796 );
  }
  atom[14]{
    type = "CH2";
    position( 0.0, 0.0, -18.08 );
  }
  atom[15]{
    type = "CH2";
    position( 0.0, -0.8387, -19.38 );
  }
  atom[16]{
    type = "CH3";
    position( 0.0, 0.0, -20.672 );
  }

  
  bond{
    members( 0, 1 );
  }
  bond{
    members( 1, 2 );
  }
  bond{
    members( 2, 3 );
  }
  bond{
    members( 3, 4 );
  }
  bond{
    members( 4, 5 );
  }
  bond{
    members( 5, 6 );
  }
  bond{
    members( 6, 7 );
  }
  bond{
    members( 7, 8 );
  }
  bond{
    members( 8, 9 );
  }
  bond{
    members( 9, 10 );
  }
  bond{
    members( 10, 11 );
  }
  bond{
    members( 11, 12 );
  }
  bond{
    members( 12, 13 );
  }
  bond{
    members( 13, 14 );
  }
  bond{
    members( 14, 15 );
  }
  bond{
    members( 15, 16 );
  }

  
  bend{
    members( 0, 1, 2 );
  }
  bend{
    members( 1, 2, 3 );
  }
  bend{
    members( 2, 3, 4 );
  }
  bend{
    members( 3, 4, 5 );
  }
  bend{
    members( 4, 5, 6 );
  }
  bend{
    members( 5, 6, 7 );
  }
  bend{
    members( 6, 7, 8 );
  }
  bend{
    members( 7, 8, 9 );
  }
  bend{
    members( 8, 9, 10 );
  }
  bend{
    members( 9, 10, 11 );
  }
  bend{
    members( 10, 11, 12 );
  }
  bend{
    members( 11, 12, 13 );
  }
  bend{
    members( 12, 13, 14 );
  }
  bend{
    members( 13, 14, 15 );
  }
  bend{
    members( 14, 15, 16 );
  }

  
  torsion{
    members( 0, 1, 2, 3 );
  }
  torsion{
    members( 1, 2, 3, 4 );
  }
  torsion{
    members( 2, 3, 4, 5 );
  }
  torsion{
    members( 3, 4, 5, 6 );
  }
  torsion{
    members( 4, 5, 6, 7 );
  }
  torsion{
    members( 5, 6, 7, 8 );
  }
  torsion{
    members( 6, 7, 8, 9 );
  }
  torsion{
    members( 7, 8, 9, 10 );
  }
  torsion{
    members( 8, 9, 10, 11 );
  }
  torsion{
    members( 9, 10, 11, 12 );
  }
  torsion{
    members( 10, 11, 12, 13 );
  }
  torsion{
    members( 11, 12, 13, 14 );
  }
  torsion{
    members( 12, 13, 14, 15 );
  }
  torsion{
    members( 13, 14, 15, 16 );
  }
}

molecule{
  
  name = "simpleLipid_16G";
  

  atom[0]{
    type = "HEAD";
    position( 0.0, 1.01479, 0.65901 );
    orientation( 0.0, 0.0, 0.0 );
  }
  atom[1]{
    type = "CH2";
    position( 0.0, -0.8387, -1.292 );
  }
  atom[2]{
    type = "CH2";
    position( 0.0, 0.0, -2.584 );
  }
  atom[3]{
    type = "CH2";
    position( 0.0, -0.8387, -3.876 );
  }
  atom[4]{
    type = "CH2";
    position( 0.0, 0.0, -5.168 );
  }
  atom[5]{
    type = "CH2";
    position( 0.0, -0.8387, -6.46 );
  }
  atom[6]{
    type = "CH2";
    position( 0.0, 0.0, -7.752 );
  }
  atom[7]{
    type = "CH2";
    position( 0.0, -0.8387, -9.044 );
  }
  atom[8]{
    type = "CH2";
    position( 0.0, 0.0, -10.336 );
  }
  atom[9]{
    type = "CH2";
    position( 0.0, -0.8387, -11.628 );
  }
  atom[10]{
    type = "CH2";
    position( 0.0, 0.0, -12.92 );
  }
  atom[11]{
    type = "CH2";
    position( 0.0, -0.8387, -14.212 );
  }
  atom[12]{
    type = "CH2";
    position( 0.0, 0.0, -15.504 );
  }
  atom[13]{
    type = "CH2";
    position( 0.0, -0.8387, -16.796 );
  }
  atom[14]{
    type = "CH2";
    position( 0.0, 0.0, -18.08 );
  }
  atom[15]{
    type = "CH2";
    position( 0.0, -0.8387, -19.38 );
  }
  atom[16]{
    type = "CH3";
    position( 0.0, 0.0, -20.672 );
  }

  
  bond{
    members( 0, 1 );
  }
  bond{
    members( 1, 2 );
  }
  bond{
    members( 2, 3 );
  }
  bond{
    members( 3, 4 );
  }
  bond{
    members( 4, 5 );
  }
  bond{
    members( 5, 6 );
  }
  bond{
    members( 6, 7 );
  }
  bond{
    members( 7, 8 );
  }
  bond{
    members( 8, 9 );
  }
  bond{
    members( 9, 10 );
  }
  bond{
    members( 10, 11 );
  }
  bond{
    members( 11, 12 );
  }
  bond{
    members( 12, 13 );
  }
  bond{
    members( 13, 14 );
  }
  bond{
    members( 14, 15 );
  }
  bond{
    members( 15, 16 );
  }

  
  bend{
    members( 0, 1, 2 );
  }
  bend{
    members( 1, 2, 3 );
  }
  bend{
    members( 2, 3, 4 );
  }
  bend{
    members( 3, 4, 5 );
  }
  bend{
    members( 4, 5, 6 );
  }
  bend{
    members( 5, 6, 7 );
  }
  bend{
    members( 6, 7, 8 );
  }
  bend{
    members( 7, 8, 9 );
  }
  bend{
    members( 8, 9, 10 );
  }
  bend{
    members( 9, 10, 11 );
  }
  bend{
    members( 10, 11, 12 );
  }
  bend{
    members( 11, 12, 13 );
  }
  bend{
    members( 12, 13, 14 );
  }
  bend{
    members( 13, 14, 15 );
  }
  bend{
    members( 14, 15, 16 );
  }
  bend{
    members( 0, 1 );
    ghostVectorSource = 0;
  }


  torsion{
    members( 0, 1, 2, 3 );
  }
  torsion{
    members( 1, 2, 3, 4 );
  }
  torsion{
    members( 2, 3, 4, 5 );
  }
  torsion{
    members( 3, 4, 5, 6 );
  }
  torsion{
    members( 4, 5, 6, 7 );
  }
  torsion{
    members( 5, 6, 7, 8 );
  }
  torsion{
    members( 6, 7, 8, 9 );
  }
  torsion{
    members( 7, 8, 9, 10 );
  }
  torsion{
    members( 8, 9, 10, 11 );
  }
  torsion{
    members( 9, 10, 11, 12 );
  }
  torsion{
    members( 10, 11, 12, 13 );
  }
  torsion{
    members( 11, 12, 13, 14 );
  }
  torsion{
    members( 12, 13, 14, 15 );
  }
  torsion{
    members( 13, 14, 15, 16 );
  }
}

molecule{
  
  name = "twoChain_14G";
  

  atom[0]{
    type = "HEAD";
    position( -0.110050, 1.249033, -0.023976 );
    orientation( 0.0, 0.0, 0.0 );
  }
  atom[1]{
    type = "CH2";
    position( 0.784436, -1.064213, -1.211953 );
  }
  atom[2]{
    type = "CH";
    position( 1.109791, -0.911911, -2.709467 );
  }
  atom[3]{
    type = "CH2";
    position( -0.268917, -0.607952, -3.324586 );
  }
  atom[4]{
    type = "CH2";
    position( -0.331805, 0.044474, -4.718138 );
  }
  atom[5]{
    type = "CH2";
    position( -0.103214, -0.867134, -5.938104 );
  }
  atom[6]{
    type = "CH2";
    position( -0.181619, -0.100307, -7.271307 );
  }
  atom[7]{
    type = "CH2";
    position( 0.042505, -0.939979, -8.542653 );
  }
  atom[8]{
    type = "CH2";
    position( -0.051368, -0.117766, -9.841404 );
  }
  atom[9]{
    type = "CH2";
    position( 0.142860, -0.925076, -11.138372 );
  }
  atom[10]{
    type = "CH2";
    position( 0.019593, -0.083625, -12.422259 );
  }
  atom[11]{
    type = "CH2";
    position( 0.180051, -0.885777, -13.727022 );
  }
  atom[12]{
    type = "CH2";
    position( 0.034763, -0.043486, -15.008052 );
  }
  atom[13]{
    type = "CH2";
    position( 0.173235, -0.851987, -16.311414);
  }
  atom[14]{
    type = "CH2";
    position( 0.018726, -0.013912, -17.594129);
  }
  atom[15]{
    type = "CH2";
    position( 0.148780, -0.828559, -18.894528 );
  }
  atom[16]{
    type = "CH3";
    position( -0.005954, 0.007456, -20.178559 );
  }
  atom[17]{
    type = "CH2";
    position( 2.634030, -1.130837, -2.728703);
  }
  atom[18]{
    type = "CH2";
    position( 3.297380, -1.543544, -4.055820 );
  }
  atom[19]{
    type = "CH2";
    position( 3.457273, -0.451637, -5.129958 );
  }
  atom[20]{
    type = "CH2";
    position( 4.094249, -1.019043, -6.412110 );
  }
  atom[21]{
    type = "CH2";
    position( 4.235779, -0.046073, -7.597395 );
  }
  atom[22]{
    type = "CH2";
    position( 4.820154, -0.745979, -8.838458 );
  }
  atom[23]{
    type = "CH2";
    position( 4.932879, 0.124112, -10.104093 );
  }
  atom[24]{
    type = "CH2";
    position( 5.429202, -0.669482, -11.326988 );
  }
  atom[25]{
    type = "CH2";
    position( 5.471807, 0.135950, -12.638881 );
  }
  atom[26]{
    type = "CH2";
    position( 5.843335, -0.710717, -13.870434 );
  }
  atom[27]{
    type = "CH2";
    position( 5.795449, 0.066888, -15.198830 );
  }
  atom[28]{
    type = "CH2";
    position( 6.056385, -0.801301, -16.443724 );
  }
  atom[29]{
    type = "CH2";
    position( 5.952060, -0.029856, -17.772479 );
  }
  atom[30]{
    type = "CH3";
    position( 6.164077, -0.903155, -19.023077 );
  }

  
  bond{
    members( 0, 1 );
  }
  bond{
    members( 1, 2 );
  }
  bond{
    members( 2, 3 );
  }
  bond{
    members( 3, 4 );
  }
  bond{
    members( 4, 5 );
  }
  bond{
    members( 5, 6 );
  }
  bond{
    members( 6, 7 );
  }
  bond{
    members( 7, 8 );
  }
  bond{
    members( 8, 9 );
  }
  bond{
    members( 9, 10 );
  }
  bond{
    members( 10, 11 );
  }
  bond{
    members( 11, 12 );
  }
  bond{
    members( 12, 13 );
  }
  bond{
    members( 13, 14 );
  }
  bond{
    members( 14, 15 );
  }
  bond{
    members( 15, 16 );
  }
  bond{
    members( 2, 17 );
  }
  bond{
    members( 17, 18 );
  }
  bond{
    members( 18, 19 );
  }
  bond{
    members( 19, 20 );
  }
  bond{
    members( 20, 21 );
  }
  bond{
    members( 21, 22 );
  }
  bond{
    members( 22, 23 );
  }
  bond{
    members( 23, 24 );
  }
  bond{
    members( 24, 25 );
  }
  bond{
    members( 25, 26 );
  }
  bond{
    members( 26, 27 );
  }
  bond{
    members( 27, 28 );
  }
  bond{
    members( 28, 29 );
  }
  bond{
    members( 29, 30 );
  }

  
  bend{
    members( 0, 1, 2 );
  }
  bend{
    members( 1, 2, 3 );
  }
  bend{
    members( 2, 3, 4 );
  }
  bend{
    members( 3, 4, 5 );
  }
  bend{
    members( 4, 5, 6 );
  }
  bend{
    members( 5, 6, 7 );
  }
  bend{
    members( 6, 7, 8 );
  }
  bend{
    members( 7, 8, 9 );
  }
  bend{
    members( 8, 9, 10 );
  }
  bend{
    members( 9, 10, 11 );
  }
  bend{
    members( 10, 11, 12 );
  }
  bend{
    members( 11, 12, 13 );
  }
  bend{
    members( 12, 13, 14 );
  }
  bend{
    members( 13, 14, 15 );
  }
  bend{
    members( 14, 15, 16 );
  }
  bend{
    members( 0, 1 );
    ghostVectorSource = 0;
  }
  bend{
    members( 1, 2, 17 );
  }
  bend{
    members( 2, 17, 18 );
  }
  bend{
    members( 17, 18, 19 );
  }
  bend{
    members( 18, 19, 20 );
  }
  bend{
    members( 19, 20, 21 );
  }
  bend{
    members( 20, 21, 22 );
  }
  bend{
    members( 21, 22, 23 );
  }
  bend{
    members( 22, 23, 24 );
  }
  bend{
    members( 23, 24, 25 );
  }
  bend{
    members( 24, 25, 26 );
  }
  bend{
    members( 25, 26, 27 );
  }
  bend{
    members( 26, 27, 28 );
  }
  bend{
    members( 27, 28, 29 );
  }
  bend{
    members( 28, 29, 30 );
  }


  torsion{
    members( 0, 1, 2, 3 );
  }
  torsion{
    members( 1, 2, 3, 4 );
  }
  torsion{
    members( 2, 3, 4, 5 );
  }
  torsion{
    members( 3, 4, 5, 6 );
  }
  torsion{
    members( 4, 5, 6, 7 );
  }
  torsion{
    members( 5, 6, 7, 8 );
  }
  torsion{
    members( 6, 7, 8, 9 );
  }
  torsion{
    members( 7, 8, 9, 10 );
  }
  torsion{
    members( 8, 9, 10, 11 );
  }
  torsion{
    members( 9, 10, 11, 12 );
  }
  torsion{
    members( 10, 11, 12, 13 );
  }
  torsion{
    members( 11, 12, 13, 14 );
  }
  torsion{
    members( 12, 13, 14, 15 );
  }
  torsion{
    members( 13, 14, 15, 16 );
  }
  torsion{
    members( 1, 2, 17, 18 );
  }
  torsion{
    members( 2, 17, 18, 19 );
  }
  torsion{
    members( 17, 18, 19, 20 );
  }
  torsion{
    members( 18, 19, 20, 21 );
  }
  torsion{
    members( 19, 20, 21, 22 );
  }
  torsion{
    members( 20, 21, 22, 23 );
  }
  torsion{
    members( 21, 22, 23, 24 );
  }
  torsion{
    members( 22, 23, 24, 25 );
  }
  torsion{
    members( 23, 24, 25, 26 );
  }
  torsion{
    members( 24, 25, 26, 27 );
  }
  torsion{
    members( 25, 26, 27, 28 );
  }
  torsion{
    members( 26, 27, 28, 29 );
  }
  torsion{
    members( 27, 28, 29, 30 );
  }

}
Revision:	1465
Committed:	Fri Jul 9 23:08:25 2010 UTC (15 years, 3 months ago) by chuckv
File size:	12089 byte(s)
Log Message:	Creating busticated version of OpenMD
#	User	Rev	Content
1	gezelter	2	molecule{
2
3			name = "simpleLipid_16";
4	tim	790
5	gezelter	2
6			atom[0]{
7			type = "HEAD";
8			position( 0.0, 1.01479, 0.65901 );
9			orientation( 0.0, 0.0, 0.0 );
10			}
11			atom[1]{
12			type = "CH2";
13			position( 0.0, -0.8387, -1.292 );
14			}
15			atom[2]{
16			type = "CH2";
17			position( 0.0, 0.0, -2.584 );
18			}
19			atom[3]{
20			type = "CH2";
21			position( 0.0, -0.8387, -3.876 );
22			}
23			atom[4]{
24			type = "CH2";
25			position( 0.0, 0.0, -5.168 );
26			}
27			atom[5]{
28			type = "CH2";
29			position( 0.0, -0.8387, -6.46 );
30			}
31			atom[6]{
32			type = "CH2";
33			position( 0.0, 0.0, -7.752 );
34			}
35			atom[7]{
36			type = "CH2";
37			position( 0.0, -0.8387, -9.044 );
38			}
39			atom[8]{
40			type = "CH2";
41			position( 0.0, 0.0, -10.336 );
42			}
43			atom[9]{
44			type = "CH2";
45			position( 0.0, -0.8387, -11.628 );
46			}
47			atom[10]{
48			type = "CH2";
49			position( 0.0, 0.0, -12.92 );
50			}
51			atom[11]{
52			type = "CH2";
53			position( 0.0, -0.8387, -14.212 );
54			}
55			atom[12]{
56			type = "CH2";
57			position( 0.0, 0.0, -15.504 );
58			}
59			atom[13]{
60			type = "CH2";
61			position( 0.0, -0.8387, -16.796 );
62			}
63			atom[14]{
64			type = "CH2";
65			position( 0.0, 0.0, -18.08 );
66			}
67			atom[15]{
68			type = "CH2";
69			position( 0.0, -0.8387, -19.38 );
70			}
71			atom[16]{
72			type = "CH3";
73			position( 0.0, 0.0, -20.672 );
74			}
75
76	tim	790
77	gezelter	2
78	tim	790	bond{
79	gezelter	2	members( 0, 1 );
80			}
81	tim	790	bond{
82	gezelter	2	members( 1, 2 );
83			}
84	tim	790	bond{
85	gezelter	2	members( 2, 3 );
86			}
87	tim	790	bond{
88	gezelter	2	members( 3, 4 );
89			}
90	tim	790	bond{
91	gezelter	2	members( 4, 5 );
92			}
93	tim	790	bond{
94	gezelter	2	members( 5, 6 );
95			}
96	tim	790	bond{
97	gezelter	2	members( 6, 7 );
98			}
99	tim	790	bond{
100	gezelter	2	members( 7, 8 );
101			}
102	tim	790	bond{
103	gezelter	2	members( 8, 9 );
104			}
105	tim	790	bond{
106	gezelter	2	members( 9, 10 );
107			}
108	tim	790	bond{
109	gezelter	2	members( 10, 11 );
110			}
111	tim	790	bond{
112	gezelter	2	members( 11, 12 );
113			}
114	tim	790	bond{
115	gezelter	2	members( 12, 13 );
116			}
117	tim	790	bond{
118	gezelter	2	members( 13, 14 );
119			}
120	tim	790	bond{
121	gezelter	2	members( 14, 15 );
122			}
123	tim	790	bond{
124	gezelter	2	members( 15, 16 );
125			}
126
127	tim	790
128	gezelter	2
129	tim	790	bend{
130	gezelter	2	members( 0, 1, 2 );
131			}
132	tim	790	bend{
133	gezelter	2	members( 1, 2, 3 );
134			}
135	tim	790	bend{
136	gezelter	2	members( 2, 3, 4 );
137			}
138	tim	790	bend{
139	gezelter	2	members( 3, 4, 5 );
140			}
141	tim	790	bend{
142	gezelter	2	members( 4, 5, 6 );
143			}
144	tim	790	bend{
145	gezelter	2	members( 5, 6, 7 );
146			}
147	tim	790	bend{
148	gezelter	2	members( 6, 7, 8 );
149			}
150	tim	790	bend{
151	gezelter	2	members( 7, 8, 9 );
152			}
153	tim	790	bend{
154	gezelter	2	members( 8, 9, 10 );
155			}
156	tim	790	bend{
157	gezelter	2	members( 9, 10, 11 );
158			}
159	tim	790	bend{
160	gezelter	2	members( 10, 11, 12 );
161			}
162	tim	790	bend{
163	gezelter	2	members( 11, 12, 13 );
164			}
165	tim	790	bend{
166	gezelter	2	members( 12, 13, 14 );
167			}
168	tim	790	bend{
169	gezelter	2	members( 13, 14, 15 );
170			}
171	tim	790	bend{
172	gezelter	2	members( 14, 15, 16 );
173			}
174
175	tim	790
176	gezelter	2
177	tim	790	torsion{
178	gezelter	2	members( 0, 1, 2, 3 );
179			}
180	tim	790	torsion{
181	gezelter	2	members( 1, 2, 3, 4 );
182			}
183	tim	790	torsion{
184	gezelter	2	members( 2, 3, 4, 5 );
185			}
186	tim	790	torsion{
187	gezelter	2	members( 3, 4, 5, 6 );
188			}
189	tim	790	torsion{
190	gezelter	2	members( 4, 5, 6, 7 );
191			}
192	tim	790	torsion{
193	gezelter	2	members( 5, 6, 7, 8 );
194			}
195	tim	790	torsion{
196	gezelter	2	members( 6, 7, 8, 9 );
197			}
198	tim	790	torsion{
199	gezelter	2	members( 7, 8, 9, 10 );
200			}
201	tim	790	torsion{
202	gezelter	2	members( 8, 9, 10, 11 );
203			}
204	tim	790	torsion{
205	gezelter	2	members( 9, 10, 11, 12 );
206			}
207	tim	790	torsion{
208	gezelter	2	members( 10, 11, 12, 13 );
209			}
210	tim	790	torsion{
211	gezelter	2	members( 11, 12, 13, 14 );
212			}
213	tim	790	torsion{
214	gezelter	2	members( 12, 13, 14, 15 );
215			}
216	tim	790	torsion{
217	gezelter	2	members( 13, 14, 15, 16 );
218			}
219			}
220
221			molecule{
222
223			name = "simpleLipid_16G";
224	tim	790
225	gezelter	2
226			atom[0]{
227			type = "HEAD";
228			position( 0.0, 1.01479, 0.65901 );
229			orientation( 0.0, 0.0, 0.0 );
230			}
231			atom[1]{
232			type = "CH2";
233			position( 0.0, -0.8387, -1.292 );
234			}
235			atom[2]{
236			type = "CH2";
237			position( 0.0, 0.0, -2.584 );
238			}
239			atom[3]{
240			type = "CH2";
241			position( 0.0, -0.8387, -3.876 );
242			}
243			atom[4]{
244			type = "CH2";
245			position( 0.0, 0.0, -5.168 );
246			}
247			atom[5]{
248			type = "CH2";
249			position( 0.0, -0.8387, -6.46 );
250			}
251			atom[6]{
252			type = "CH2";
253			position( 0.0, 0.0, -7.752 );
254			}
255			atom[7]{
256			type = "CH2";
257			position( 0.0, -0.8387, -9.044 );
258			}
259			atom[8]{
260			type = "CH2";
261			position( 0.0, 0.0, -10.336 );
262			}
263			atom[9]{
264			type = "CH2";
265			position( 0.0, -0.8387, -11.628 );
266			}
267			atom[10]{
268			type = "CH2";
269			position( 0.0, 0.0, -12.92 );
270			}
271			atom[11]{
272			type = "CH2";
273			position( 0.0, -0.8387, -14.212 );
274			}
275			atom[12]{
276			type = "CH2";
277			position( 0.0, 0.0, -15.504 );
278			}
279			atom[13]{
280			type = "CH2";
281			position( 0.0, -0.8387, -16.796 );
282			}
283			atom[14]{
284			type = "CH2";
285			position( 0.0, 0.0, -18.08 );
286			}
287			atom[15]{
288			type = "CH2";
289			position( 0.0, -0.8387, -19.38 );
290			}
291			atom[16]{
292			type = "CH3";
293			position( 0.0, 0.0, -20.672 );
294			}
295
296	tim	790
297	gezelter	2
298	tim	790	bond{
299	gezelter	2	members( 0, 1 );
300			}
301	tim	790	bond{
302	gezelter	2	members( 1, 2 );
303			}
304	tim	790	bond{
305	gezelter	2	members( 2, 3 );
306			}
307	tim	790	bond{
308	gezelter	2	members( 3, 4 );
309			}
310	tim	790	bond{
311	gezelter	2	members( 4, 5 );
312			}
313	tim	790	bond{
314	gezelter	2	members( 5, 6 );
315			}
316	tim	790	bond{
317	gezelter	2	members( 6, 7 );
318			}
319	tim	790	bond{
320	gezelter	2	members( 7, 8 );
321			}
322	tim	790	bond{
323	gezelter	2	members( 8, 9 );
324			}
325	tim	790	bond{
326	gezelter	2	members( 9, 10 );
327			}
328	tim	790	bond{
329	gezelter	2	members( 10, 11 );
330			}
331	tim	790	bond{
332	gezelter	2	members( 11, 12 );
333			}
334	tim	790	bond{
335	gezelter	2	members( 12, 13 );
336			}
337	tim	790	bond{
338	gezelter	2	members( 13, 14 );
339			}
340	tim	790	bond{
341	gezelter	2	members( 14, 15 );
342			}
343	tim	790	bond{
344	gezelter	2	members( 15, 16 );
345			}
346
347	tim	790
348	gezelter	2
349	tim	790	bend{
350	gezelter	2	members( 0, 1, 2 );
351			}
352	tim	790	bend{
353	gezelter	2	members( 1, 2, 3 );
354			}
355	tim	790	bend{
356	gezelter	2	members( 2, 3, 4 );
357			}
358	tim	790	bend{
359	gezelter	2	members( 3, 4, 5 );
360			}
361	tim	790	bend{
362	gezelter	2	members( 4, 5, 6 );
363			}
364	tim	790	bend{
365	gezelter	2	members( 5, 6, 7 );
366			}
367	tim	790	bend{
368	gezelter	2	members( 6, 7, 8 );
369			}
370	tim	790	bend{
371	gezelter	2	members( 7, 8, 9 );
372			}
373	tim	790	bend{
374	gezelter	2	members( 8, 9, 10 );
375			}
376	tim	790	bend{
377	gezelter	2	members( 9, 10, 11 );
378			}
379	tim	790	bend{
380	gezelter	2	members( 10, 11, 12 );
381			}
382	tim	790	bend{
383	gezelter	2	members( 11, 12, 13 );
384			}
385	tim	790	bend{
386	gezelter	2	members( 12, 13, 14 );
387			}
388	tim	790	bend{
389	gezelter	2	members( 13, 14, 15 );
390			}
391	tim	790	bend{
392	gezelter	2	members( 14, 15, 16 );
393			}
394	tim	790	bend{
395	gezelter	2	members( 0, 1 );
396			ghostVectorSource = 0;
397			}
398
399
400	tim	790
401	gezelter	2
402	tim	790	torsion{
403	gezelter	2	members( 0, 1, 2, 3 );
404			}
405	tim	790	torsion{
406	gezelter	2	members( 1, 2, 3, 4 );
407			}
408	tim	790	torsion{
409	gezelter	2	members( 2, 3, 4, 5 );
410			}
411	tim	790	torsion{
412	gezelter	2	members( 3, 4, 5, 6 );
413			}
414	tim	790	torsion{
415	gezelter	2	members( 4, 5, 6, 7 );
416			}
417	tim	790	torsion{
418	gezelter	2	members( 5, 6, 7, 8 );
419			}
420	tim	790	torsion{
421	gezelter	2	members( 6, 7, 8, 9 );
422			}
423	tim	790	torsion{
424	gezelter	2	members( 7, 8, 9, 10 );
425			}
426	tim	790	torsion{
427	gezelter	2	members( 8, 9, 10, 11 );
428			}
429	tim	790	torsion{
430	gezelter	2	members( 9, 10, 11, 12 );
431			}
432	tim	790	torsion{
433	gezelter	2	members( 10, 11, 12, 13 );
434			}
435	tim	790	torsion{
436	gezelter	2	members( 11, 12, 13, 14 );
437			}
438	tim	790	torsion{
439	gezelter	2	members( 12, 13, 14, 15 );
440			}
441	tim	790	torsion{
442	gezelter	2	members( 13, 14, 15, 16 );
443			}
444			}
445
446			molecule{
447
448			name = "twoChain_14G";
449	tim	790
450	gezelter	2
451			atom[0]{
452			type = "HEAD";
453			position( -0.110050, 1.249033, -0.023976 );
454			orientation( 0.0, 0.0, 0.0 );
455			}
456			atom[1]{
457			type = "CH2";
458			position( 0.784436, -1.064213, -1.211953 );
459			}
460			atom[2]{
461			type = "CH";
462			position( 1.109791, -0.911911, -2.709467 );
463			}
464			atom[3]{
465			type = "CH2";
466			position( -0.268917, -0.607952, -3.324586 );
467			}
468			atom[4]{
469			type = "CH2";
470			position( -0.331805, 0.044474, -4.718138 );
471			}
472			atom[5]{
473			type = "CH2";
474			position( -0.103214, -0.867134, -5.938104 );
475			}
476			atom[6]{
477			type = "CH2";
478			position( -0.181619, -0.100307, -7.271307 );
479			}
480			atom[7]{
481			type = "CH2";
482			position( 0.042505, -0.939979, -8.542653 );
483			}
484			atom[8]{
485			type = "CH2";
486			position( -0.051368, -0.117766, -9.841404 );
487			}
488			atom[9]{
489			type = "CH2";
490			position( 0.142860, -0.925076, -11.138372 );
491			}
492			atom[10]{
493			type = "CH2";
494			position( 0.019593, -0.083625, -12.422259 );
495			}
496			atom[11]{
497			type = "CH2";
498			position( 0.180051, -0.885777, -13.727022 );
499			}
500			atom[12]{
501			type = "CH2";
502			position( 0.034763, -0.043486, -15.008052 );
503			}
504			atom[13]{
505			type = "CH2";
506			position( 0.173235, -0.851987, -16.311414);
507			}
508			atom[14]{
509			type = "CH2";
510			position( 0.018726, -0.013912, -17.594129);
511			}
512			atom[15]{
513			type = "CH2";
514			position( 0.148780, -0.828559, -18.894528 );
515			}
516			atom[16]{
517			type = "CH3";
518			position( -0.005954, 0.007456, -20.178559 );
519			}
520			atom[17]{
521			type = "CH2";
522			position( 2.634030, -1.130837, -2.728703);
523			}
524			atom[18]{
525			type = "CH2";
526			position( 3.297380, -1.543544, -4.055820 );
527			}
528			atom[19]{
529			type = "CH2";
530			position( 3.457273, -0.451637, -5.129958 );
531			}
532			atom[20]{
533			type = "CH2";
534			position( 4.094249, -1.019043, -6.412110 );
535			}
536			atom[21]{
537			type = "CH2";
538			position( 4.235779, -0.046073, -7.597395 );
539			}
540			atom[22]{
541			type = "CH2";
542			position( 4.820154, -0.745979, -8.838458 );
543			}
544			atom[23]{
545			type = "CH2";
546			position( 4.932879, 0.124112, -10.104093 );
547			}
548			atom[24]{
549			type = "CH2";
550			position( 5.429202, -0.669482, -11.326988 );
551			}
552			atom[25]{
553			type = "CH2";
554			position( 5.471807, 0.135950, -12.638881 );
555			}
556			atom[26]{
557			type = "CH2";
558			position( 5.843335, -0.710717, -13.870434 );
559			}
560			atom[27]{
561			type = "CH2";
562			position( 5.795449, 0.066888, -15.198830 );
563			}
564			atom[28]{
565			type = "CH2";
566			position( 6.056385, -0.801301, -16.443724 );
567			}
568			atom[29]{
569			type = "CH2";
570			position( 5.952060, -0.029856, -17.772479 );
571			}
572			atom[30]{
573			type = "CH3";
574			position( 6.164077, -0.903155, -19.023077 );
575			}
576
577	tim	790
578	gezelter	2
579	tim	790	bond{
580	gezelter	2	members( 0, 1 );
581			}
582	tim	790	bond{
583	gezelter	2	members( 1, 2 );
584			}
585	tim	790	bond{
586	gezelter	2	members( 2, 3 );
587			}
588	tim	790	bond{
589	gezelter	2	members( 3, 4 );
590			}
591	tim	790	bond{
592	gezelter	2	members( 4, 5 );
593			}
594	tim	790	bond{
595	gezelter	2	members( 5, 6 );
596			}
597	tim	790	bond{
598	gezelter	2	members( 6, 7 );
599			}
600	tim	790	bond{
601	gezelter	2	members( 7, 8 );
602			}
603	tim	790	bond{
604	gezelter	2	members( 8, 9 );
605			}
606	tim	790	bond{
607	gezelter	2	members( 9, 10 );
608			}
609	tim	790	bond{
610	gezelter	2	members( 10, 11 );
611			}
612	tim	790	bond{
613	gezelter	2	members( 11, 12 );
614			}
615	tim	790	bond{
616	gezelter	2	members( 12, 13 );
617			}
618	tim	790	bond{
619	gezelter	2	members( 13, 14 );
620			}
621	tim	790	bond{
622	gezelter	2	members( 14, 15 );
623			}
624	tim	790	bond{
625	gezelter	2	members( 15, 16 );
626			}
627	tim	790	bond{
628	gezelter	2	members( 2, 17 );
629			}
630	tim	790	bond{
631	gezelter	2	members( 17, 18 );
632			}
633	tim	790	bond{
634	gezelter	2	members( 18, 19 );
635			}
636	tim	790	bond{
637	gezelter	2	members( 19, 20 );
638			}
639	tim	790	bond{
640	gezelter	2	members( 20, 21 );
641			}
642	tim	790	bond{
643	gezelter	2	members( 21, 22 );
644			}
645	tim	790	bond{
646	gezelter	2	members( 22, 23 );
647			}
648	tim	790	bond{
649	gezelter	2	members( 23, 24 );
650			}
651	tim	790	bond{
652	gezelter	2	members( 24, 25 );
653			}
654	tim	790	bond{
655	gezelter	2	members( 25, 26 );
656			}
657	tim	790	bond{
658	gezelter	2	members( 26, 27 );
659			}
660	tim	790	bond{
661	gezelter	2	members( 27, 28 );
662			}
663	tim	790	bond{
664	gezelter	2	members( 28, 29 );
665			}
666	tim	790	bond{
667	gezelter	2	members( 29, 30 );
668			}
669
670	tim	790
671	gezelter	2
672	tim	790	bend{
673	gezelter	2	members( 0, 1, 2 );
674			}
675	tim	790	bend{
676	gezelter	2	members( 1, 2, 3 );
677			}
678	tim	790	bend{
679	gezelter	2	members( 2, 3, 4 );
680			}
681	tim	790	bend{
682	gezelter	2	members( 3, 4, 5 );
683			}
684	tim	790	bend{
685	gezelter	2	members( 4, 5, 6 );
686			}
687	tim	790	bend{
688	gezelter	2	members( 5, 6, 7 );
689			}
690	tim	790	bend{
691	gezelter	2	members( 6, 7, 8 );
692			}
693	tim	790	bend{
694	gezelter	2	members( 7, 8, 9 );
695			}
696	tim	790	bend{
697	gezelter	2	members( 8, 9, 10 );
698			}
699	tim	790	bend{
700	gezelter	2	members( 9, 10, 11 );
701			}
702	tim	790	bend{
703	gezelter	2	members( 10, 11, 12 );
704			}
705	tim	790	bend{
706	gezelter	2	members( 11, 12, 13 );
707			}
708	tim	790	bend{
709	gezelter	2	members( 12, 13, 14 );
710			}
711	tim	790	bend{
712	gezelter	2	members( 13, 14, 15 );
713			}
714	tim	790	bend{
715	gezelter	2	members( 14, 15, 16 );
716			}
717	tim	790	bend{
718	gezelter	2	members( 0, 1 );
719			ghostVectorSource = 0;
720			}
721	tim	790	bend{
722	gezelter	2	members( 1, 2, 17 );
723			}
724	tim	790	bend{
725	gezelter	2	members( 2, 17, 18 );
726			}
727	tim	790	bend{
728	gezelter	2	members( 17, 18, 19 );
729			}
730	tim	790	bend{
731	gezelter	2	members( 18, 19, 20 );
732			}
733	tim	790	bend{
734	gezelter	2	members( 19, 20, 21 );
735			}
736	tim	790	bend{
737	gezelter	2	members( 20, 21, 22 );
738			}
739	tim	790	bend{
740	gezelter	2	members( 21, 22, 23 );
741			}
742	tim	790	bend{
743	gezelter	2	members( 22, 23, 24 );
744			}
745	tim	790	bend{
746	gezelter	2	members( 23, 24, 25 );
747			}
748	tim	790	bend{
749	gezelter	2	members( 24, 25, 26 );
750			}
751	tim	790	bend{
752	gezelter	2	members( 25, 26, 27 );
753			}
754	tim	790	bend{
755	gezelter	2	members( 26, 27, 28 );
756			}
757	tim	790	bend{
758	gezelter	2	members( 27, 28, 29 );
759			}
760	tim	790	bend{
761	gezelter	2	members( 28, 29, 30 );
762			}
763
764
765
766
767	tim	790
768	gezelter	2
769	tim	790	torsion{
770	gezelter	2	members( 0, 1, 2, 3 );
771			}
772	tim	790	torsion{
773	gezelter	2	members( 1, 2, 3, 4 );
774			}
775	tim	790	torsion{
776	gezelter	2	members( 2, 3, 4, 5 );
777			}
778	tim	790	torsion{
779	gezelter	2	members( 3, 4, 5, 6 );
780			}
781	tim	790	torsion{
782	gezelter	2	members( 4, 5, 6, 7 );
783			}
784	tim	790	torsion{
785	gezelter	2	members( 5, 6, 7, 8 );
786			}
787	tim	790	torsion{
788	gezelter	2	members( 6, 7, 8, 9 );
789			}
790	tim	790	torsion{
791	gezelter	2	members( 7, 8, 9, 10 );
792			}
793	tim	790	torsion{
794	gezelter	2	members( 8, 9, 10, 11 );
795			}
796	tim	790	torsion{
797	gezelter	2	members( 9, 10, 11, 12 );
798			}
799	tim	790	torsion{
800	gezelter	2	members( 10, 11, 12, 13 );
801			}
802	tim	790	torsion{
803	gezelter	2	members( 11, 12, 13, 14 );
804			}
805	tim	790	torsion{
806	gezelter	2	members( 12, 13, 14, 15 );
807			}
808	tim	790	torsion{
809	gezelter	2	members( 13, 14, 15, 16 );
810			}
811	tim	790	torsion{
812	gezelter	2	members( 1, 2, 17, 18 );
813			}
814	tim	790	torsion{
815	gezelter	2	members( 2, 17, 18, 19 );
816			}
817	tim	790	torsion{
818	gezelter	2	members( 17, 18, 19, 20 );
819			}
820	tim	790	torsion{
821	gezelter	2	members( 18, 19, 20, 21 );
822			}
823	tim	790	torsion{
824	gezelter	2	members( 19, 20, 21, 22 );
825			}
826	tim	790	torsion{
827	gezelter	2	members( 20, 21, 22, 23 );
828			}
829	tim	790	torsion{
830	gezelter	2	members( 21, 22, 23, 24 );
831			}
832	tim	790	torsion{
833	gezelter	2	members( 22, 23, 24, 25 );
834			}
835	tim	790	torsion{
836	gezelter	2	members( 23, 24, 25, 26 );
837			}
838	tim	790	torsion{
839	gezelter	2	members( 24, 25, 26, 27 );
840			}
841	tim	790	torsion{
842	gezelter	2	members( 25, 26, 27, 28 );
843			}
844	tim	790	torsion{
845	gezelter	2	members( 26, 27, 28, 29 );
846			}
847	tim	790	torsion{
848	gezelter	2	members( 27, 28, 29, 30 );
849			}
850
851			}