samples/lipid/lipid.md

molecule{
  
  name = "simpleLipid_16";
  nAtoms = 17;

  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 );
  }

  nBonds = 16;

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

  nBends = 15;

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

  nTorsions = 14;

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

molecule{
  
  name = "simpleLipid_16G";
  nAtoms = 17;

  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 );
  }

  nBonds = 16;

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

  nBends = 16;

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


  nTorsions = 14;

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

molecule{
  
  name = "twoChain_14G";
  nAtoms = 31;

  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 );
  }

  nBonds = 30;

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

  nBends = 30;

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


  nTorsions = 27;

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

}
Revision:	2
Committed:	Fri Sep 24 04:16:43 2004 UTC (21 years, 1 month ago) by gezelter
Original Path:	*trunk/samples/lipid/lipid.md*
File size:	12864 byte(s)
Log Message:	Import of OOPSE v. 2.0
#	Content
1	molecule{
2
3	name = "simpleLipid_16";
4	nAtoms = 17;
5
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	nBonds = 16;
77
78	bond[0]{
79	members( 0, 1 );
80	}
81	bond[1]{
82	members( 1, 2 );
83	}
84	bond[2]{
85	members( 2, 3 );
86	}
87	bond[3]{
88	members( 3, 4 );
89	}
90	bond[4]{
91	members( 4, 5 );
92	}
93	bond[5]{
94	members( 5, 6 );
95	}
96	bond[6]{
97	members( 6, 7 );
98	}
99	bond[7]{
100	members( 7, 8 );
101	}
102	bond[8]{
103	members( 8, 9 );
104	}
105	bond[9]{
106	members( 9, 10 );
107	}
108	bond[10]{
109	members( 10, 11 );
110	}
111	bond[11]{
112	members( 11, 12 );
113	}
114	bond[12]{
115	members( 12, 13 );
116	}
117	bond[13]{
118	members( 13, 14 );
119	}
120	bond[14]{
121	members( 14, 15 );
122	}
123	bond[15]{
124	members( 15, 16 );
125	}
126
127	nBends = 15;
128
129	bend[0]{
130	members( 0, 1, 2 );
131	}
132	bend[1]{
133	members( 1, 2, 3 );
134	}
135	bend[2]{
136	members( 2, 3, 4 );
137	}
138	bend[3]{
139	members( 3, 4, 5 );
140	}
141	bend[4]{
142	members( 4, 5, 6 );
143	}
144	bend[5]{
145	members( 5, 6, 7 );
146	}
147	bend[6]{
148	members( 6, 7, 8 );
149	}
150	bend[7]{
151	members( 7, 8, 9 );
152	}
153	bend[8]{
154	members( 8, 9, 10 );
155	}
156	bend[9]{
157	members( 9, 10, 11 );
158	}
159	bend[10]{
160	members( 10, 11, 12 );
161	}
162	bend[11]{
163	members( 11, 12, 13 );
164	}
165	bend[12]{
166	members( 12, 13, 14 );
167	}
168	bend[13]{
169	members( 13, 14, 15 );
170	}
171	bend[14]{
172	members( 14, 15, 16 );
173	}
174
175	nTorsions = 14;
176
177	torsion[0]{
178	members( 0, 1, 2, 3 );
179	}
180	torsion[1]{
181	members( 1, 2, 3, 4 );
182	}
183	torsion[2]{
184	members( 2, 3, 4, 5 );
185	}
186	torsion[3]{
187	members( 3, 4, 5, 6 );
188	}
189	torsion[4]{
190	members( 4, 5, 6, 7 );
191	}
192	torsion[5]{
193	members( 5, 6, 7, 8 );
194	}
195	torsion[6]{
196	members( 6, 7, 8, 9 );
197	}
198	torsion[7]{
199	members( 7, 8, 9, 10 );
200	}
201	torsion[8]{
202	members( 8, 9, 10, 11 );
203	}
204	torsion[9]{
205	members( 9, 10, 11, 12 );
206	}
207	torsion[10]{
208	members( 10, 11, 12, 13 );
209	}
210	torsion[11]{
211	members( 11, 12, 13, 14 );
212	}
213	torsion[12]{
214	members( 12, 13, 14, 15 );
215	}
216	torsion[13]{
217	members( 13, 14, 15, 16 );
218	}
219	}
220
221	molecule{
222
223	name = "simpleLipid_16G";
224	nAtoms = 17;
225
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	nBonds = 16;
297
298	bond[0]{
299	members( 0, 1 );
300	}
301	bond[1]{
302	members( 1, 2 );
303	}
304	bond[2]{
305	members( 2, 3 );
306	}
307	bond[3]{
308	members( 3, 4 );
309	}
310	bond[4]{
311	members( 4, 5 );
312	}
313	bond[5]{
314	members( 5, 6 );
315	}
316	bond[6]{
317	members( 6, 7 );
318	}
319	bond[7]{
320	members( 7, 8 );
321	}
322	bond[8]{
323	members( 8, 9 );
324	}
325	bond[9]{
326	members( 9, 10 );
327	}
328	bond[10]{
329	members( 10, 11 );
330	}
331	bond[11]{
332	members( 11, 12 );
333	}
334	bond[12]{
335	members( 12, 13 );
336	}
337	bond[13]{
338	members( 13, 14 );
339	}
340	bond[14]{
341	members( 14, 15 );
342	}
343	bond[15]{
344	members( 15, 16 );
345	}
346
347	nBends = 16;
348
349	bend[0]{
350	members( 0, 1, 2 );
351	}
352	bend[1]{
353	members( 1, 2, 3 );
354	}
355	bend[2]{
356	members( 2, 3, 4 );
357	}
358	bend[3]{
359	members( 3, 4, 5 );
360	}
361	bend[4]{
362	members( 4, 5, 6 );
363	}
364	bend[5]{
365	members( 5, 6, 7 );
366	}
367	bend[6]{
368	members( 6, 7, 8 );
369	}
370	bend[7]{
371	members( 7, 8, 9 );
372	}
373	bend[8]{
374	members( 8, 9, 10 );
375	}
376	bend[9]{
377	members( 9, 10, 11 );
378	}
379	bend[10]{
380	members( 10, 11, 12 );
381	}
382	bend[11]{
383	members( 11, 12, 13 );
384	}
385	bend[12]{
386	members( 12, 13, 14 );
387	}
388	bend[13]{
389	members( 13, 14, 15 );
390	}
391	bend[14]{
392	members( 14, 15, 16 );
393	}
394	bend[15]{
395	members( 0, 1 );
396	ghostVectorSource = 0;
397	}
398
399
400	nTorsions = 14;
401
402	torsion[0]{
403	members( 0, 1, 2, 3 );
404	}
405	torsion[1]{
406	members( 1, 2, 3, 4 );
407	}
408	torsion[2]{
409	members( 2, 3, 4, 5 );
410	}
411	torsion[3]{
412	members( 3, 4, 5, 6 );
413	}
414	torsion[4]{
415	members( 4, 5, 6, 7 );
416	}
417	torsion[5]{
418	members( 5, 6, 7, 8 );
419	}
420	torsion[6]{
421	members( 6, 7, 8, 9 );
422	}
423	torsion[7]{
424	members( 7, 8, 9, 10 );
425	}
426	torsion[8]{
427	members( 8, 9, 10, 11 );
428	}
429	torsion[9]{
430	members( 9, 10, 11, 12 );
431	}
432	torsion[10]{
433	members( 10, 11, 12, 13 );
434	}
435	torsion[11]{
436	members( 11, 12, 13, 14 );
437	}
438	torsion[12]{
439	members( 12, 13, 14, 15 );
440	}
441	torsion[13]{
442	members( 13, 14, 15, 16 );
443	}
444	}
445
446	molecule{
447
448	name = "twoChain_14G";
449	nAtoms = 31;
450
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	nBonds = 30;
578
579	bond[0]{
580	members( 0, 1 );
581	}
582	bond[1]{
583	members( 1, 2 );
584	}
585	bond[2]{
586	members( 2, 3 );
587	}
588	bond[3]{
589	members( 3, 4 );
590	}
591	bond[4]{
592	members( 4, 5 );
593	}
594	bond[5]{
595	members( 5, 6 );
596	}
597	bond[6]{
598	members( 6, 7 );
599	}
600	bond[7]{
601	members( 7, 8 );
602	}
603	bond[8]{
604	members( 8, 9 );
605	}
606	bond[9]{
607	members( 9, 10 );
608	}
609	bond[10]{
610	members( 10, 11 );
611	}
612	bond[11]{
613	members( 11, 12 );
614	}
615	bond[12]{
616	members( 12, 13 );
617	}
618	bond[13]{
619	members( 13, 14 );
620	}
621	bond[14]{
622	members( 14, 15 );
623	}
624	bond[15]{
625	members( 15, 16 );
626	}
627	bond[16]{
628	members( 2, 17 );
629	}
630	bond[17]{
631	members( 17, 18 );
632	}
633	bond[18]{
634	members( 18, 19 );
635	}
636	bond[19]{
637	members( 19, 20 );
638	}
639	bond[20]{
640	members( 20, 21 );
641	}
642	bond[21]{
643	members( 21, 22 );
644	}
645	bond[22]{
646	members( 22, 23 );
647	}
648	bond[23]{
649	members( 23, 24 );
650	}
651	bond[24]{
652	members( 24, 25 );
653	}
654	bond[25]{
655	members( 25, 26 );
656	}
657	bond[26]{
658	members( 26, 27 );
659	}
660	bond[27]{
661	members( 27, 28 );
662	}
663	bond[28]{
664	members( 28, 29 );
665	}
666	bond[29]{
667	members( 29, 30 );
668	}
669
670	nBends = 30;
671
672	bend[0]{
673	members( 0, 1, 2 );
674	}
675	bend[1]{
676	members( 1, 2, 3 );
677	}
678	bend[2]{
679	members( 2, 3, 4 );
680	}
681	bend[3]{
682	members( 3, 4, 5 );
683	}
684	bend[4]{
685	members( 4, 5, 6 );
686	}
687	bend[5]{
688	members( 5, 6, 7 );
689	}
690	bend[6]{
691	members( 6, 7, 8 );
692	}
693	bend[7]{
694	members( 7, 8, 9 );
695	}
696	bend[8]{
697	members( 8, 9, 10 );
698	}
699	bend[9]{
700	members( 9, 10, 11 );
701	}
702	bend[10]{
703	members( 10, 11, 12 );
704	}
705	bend[11]{
706	members( 11, 12, 13 );
707	}
708	bend[12]{
709	members( 12, 13, 14 );
710	}
711	bend[13]{
712	members( 13, 14, 15 );
713	}
714	bend[14]{
715	members( 14, 15, 16 );
716	}
717	bend[15]{
718	members( 0, 1 );
719	ghostVectorSource = 0;
720	}
721	bend[16]{
722	members( 1, 2, 17 );
723	}
724	bend[17]{
725	members( 2, 17, 18 );
726	}
727	bend[18]{
728	members( 17, 18, 19 );
729	}
730	bend[19]{
731	members( 18, 19, 20 );
732	}
733	bend[20]{
734	members( 19, 20, 21 );
735	}
736	bend[21]{
737	members( 20, 21, 22 );
738	}
739	bend[22]{
740	members( 21, 22, 23 );
741	}
742	bend[23]{
743	members( 22, 23, 24 );
744	}
745	bend[24]{
746	members( 23, 24, 25 );
747	}
748	bend[25]{
749	members( 24, 25, 26 );
750	}
751	bend[26]{
752	members( 25, 26, 27 );
753	}
754	bend[27]{
755	members( 26, 27, 28 );
756	}
757	bend[28]{
758	members( 27, 28, 29 );
759	}
760	bend[29]{
761	members( 28, 29, 30 );
762	}
763
764
765
766
767	nTorsions = 27;
768
769	torsion[0]{
770	members( 0, 1, 2, 3 );
771	}
772	torsion[1]{
773	members( 1, 2, 3, 4 );
774	}
775	torsion[2]{
776	members( 2, 3, 4, 5 );
777	}
778	torsion[3]{
779	members( 3, 4, 5, 6 );
780	}
781	torsion[4]{
782	members( 4, 5, 6, 7 );
783	}
784	torsion[5]{
785	members( 5, 6, 7, 8 );
786	}
787	torsion[6]{
788	members( 6, 7, 8, 9 );
789	}
790	torsion[7]{
791	members( 7, 8, 9, 10 );
792	}
793	torsion[8]{
794	members( 8, 9, 10, 11 );
795	}
796	torsion[9]{
797	members( 9, 10, 11, 12 );
798	}
799	torsion[10]{
800	members( 10, 11, 12, 13 );
801	}
802	torsion[11]{
803	members( 11, 12, 13, 14 );
804	}
805	torsion[12]{
806	members( 12, 13, 14, 15 );
807	}
808	torsion[13]{
809	members( 13, 14, 15, 16 );
810	}
811	torsion[14]{
812	members( 1, 2, 17, 18 );
813	}
814	torsion[15]{
815	members( 2, 17, 18, 19 );
816	}
817	torsion[16]{
818	members( 17, 18, 19, 20 );
819	}
820	torsion[17]{
821	members( 18, 19, 20, 21 );
822	}
823	torsion[18]{
824	members( 19, 20, 21, 22 );
825	}
826	torsion[19]{
827	members( 20, 21, 22, 23 );
828	}
829	torsion[20]{
830	members( 21, 22, 23, 24 );
831	}
832	torsion[21]{
833	members( 22, 23, 24, 25 );
834	}
835	torsion[22]{
836	members( 23, 24, 25, 26 );
837	}
838	torsion[23]{
839	members( 24, 25, 26, 27 );
840	}
841	torsion[24]{
842	members( 25, 26, 27, 28 );
843	}
844	torsion[25]{
845	members( 26, 27, 28, 29 );
846	}
847	torsion[26]{
848	members( 27, 28, 29, 30 );
849	}
850
851	}