/usr/share/gdis/models/urea_001_cut1.gin is in gdis-data 0.90-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 | opti conv molecule
svectors
5.55180905 0.00000000 0.0
0.00000000 5.55180905 0.0
cartesian
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C core 0.000000000000 2.775904526099 -3.026933681000 0.380000
C core 2.775904526099 0.000000000000 -6.366355981300 0.380000
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N core 3.569325033301 -0.793420507300 -0.988886363101 -0.830000
N core -0.793420507300 1.982484018799 -3.707758468100 -0.830000
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H core 2.010632339399 0.765272186700 -4.649793323399 0.415000
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H core 1.323350908100 1.452553617901 -15.531030884700 0.415000
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C core 2.775904526099 0.000000000000 -39.242869799700 0.380000
C core 0.000000000000 2.775904526099 -40.600092330600 0.380000
C core 2.775904526099 0.000000000000 -43.939514630900 0.380000
C core 0.000000000000 2.775904526099 -45.296737161800 0.380000
O core 0.000000000000 2.775904526099 -25.279095460800 -0.380000
O core 2.775904526099 0.000000000000 -26.383997682401 -0.380000
O core 0.000000000000 2.775904526099 -29.975740292000 -0.380000
O core 2.775904526099 0.000000000000 -31.080642513601 -0.380000
O core 0.000000000000 2.775904526099 -34.672385123200 -0.380000
O core 2.775904526099 0.000000000000 -35.777287344801 -0.380000
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O core 2.775904526099 0.000000000000 -40.473932176001 -0.380000
O core 0.000000000000 2.775904526099 -44.065674785600 -0.380000
O core 2.775904526099 0.000000000000 -45.170577007201 -0.380000
N core 1.982484018799 0.793420507300 -24.472110519101 -0.830000
N core 3.569325033301 -0.793420507300 -24.472110519101 -0.830000
N core -0.793420507300 1.982484018799 -27.190982624100 -0.830000
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N core 1.982484018799 0.793420507300 -29.168755350301 -0.830000
N core 3.569325033301 -0.793420507300 -29.168755350301 -0.830000
N core -0.793420507300 1.982484018799 -31.887627455300 -0.830000
N core 0.793420507300 3.569325033301 -31.887627455300 -0.830000
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N core 3.569325033301 -0.793420507300 -33.865400181501 -0.830000
N core -0.793420507300 1.982484018799 -36.584272286500 -0.830000
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N core 0.793420507300 3.569325033301 -41.280917117700 -0.830000
N core 1.982484018799 0.793420507300 -43.258689843901 -0.830000
N core 3.569325033301 -0.793420507300 -43.258689843901 -0.830000
N core -0.793420507300 1.982484018799 -45.977561948900 -0.830000
N core 0.793420507300 3.569325033301 -45.977561948900 -0.830000
H core 2.010632339399 0.765272186700 -23.436372648199 0.415000
H core 3.541176712701 -0.765272186700 -23.436372648199 0.415000
H core 1.323350908100 1.452553617901 -24.924320547100 0.415000
H core 4.228458144000 -1.452553617901 -24.924320547100 0.415000
H core -1.452553617901 1.323350908100 -26.738772596100 0.415000
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H core 2.010632339399 0.765272186700 -28.133017479399 0.415000
H core 3.541176712701 -0.765272186700 -28.133017479399 0.415000
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H core 0.765272186700 3.541176712701 -28.226720494899 0.415000
H core 1.323350908100 1.452553617901 -29.620965378300 0.415000
H core 4.228458144000 -1.452553617901 -29.620965378300 0.415000
H core -1.452553617901 1.323350908100 -31.435417427300 0.415000
H core 1.452553617901 4.228458144000 -31.435417427300 0.415000
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H core 4.228458144000 -1.452553617901 -34.317610209500 0.415000
H core -1.452553617901 1.323350908100 -36.132062258500 0.415000
H core 1.452553617901 4.228458144000 -36.132062258500 0.415000
H core 2.010632339399 0.765272186700 -37.526307141799 0.415000
H core 3.541176712701 -0.765272186700 -37.526307141799 0.415000
H core -0.765272186700 2.010632339399 -37.620010157299 0.415000
H core 0.765272186700 3.541176712701 -37.620010157299 0.415000
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H core 4.228458144000 -1.452553617901 -39.014255040700 0.415000
H core -1.452553617901 1.323350908100 -40.828707089700 0.415000
H core 1.452553617901 4.228458144000 -40.828707089700 0.415000
H core 2.010632339399 0.765272186700 -42.222951972999 0.415000
H core 3.541176712701 -0.765272186700 -42.222951972999 0.415000
H core -0.765272186700 2.010632339399 -42.316654988499 0.415000
H core 0.765272186700 3.541176712701 -42.316654988499 0.415000
H core 1.323350908100 1.452553617901 -43.710899871900 0.415000
H core 4.228458144000 -1.452553617901 -43.710899871900 0.415000
H core -1.452553617901 1.323350908100 -45.525351920900 0.415000
H core 1.452553617901 4.228458144000 -45.525351920900 0.415000
H core -0.765272186700 2.010632339399 -47.013299819699 0.415000
H core 0.765272186700 3.541176712701 -47.013299819699 0.415000
sregion2 81
sbulkenergy -310.3616137
morse bond
C core O core 6.288000 2.060000 1.23000
morse bond
C core N core 4.206000 2.000000 1.32000
morse bond
H core N core 3.816000 2.280000 1.02600
lennard 12 6 inter
C core O core 39031.570000 35.266000 18.0
lennard 12 6 inter
C core N core 112494.667000 55.387000 18.0
lennard 12 6 inter
O core O core 11833.864000 21.633000 18.0
lennard 12 6 inter
N core O core 34106.919000 33.977000 18.0
lennard 12 6 inter
N core N core 98301.108000 53.362000 18.0
lennard 12 6 inter
C core C core 128737.614000 57.488000 18.0
three bond
C core N core O core 5.897000 121.000000
three bond
N core H core C core 3.252000 120.000000
three bond
N core H core H core 2.862000 120.000000
three bond
C core N core N core 8.846000 118.000000
torsion bond
O cor C cor N cor H cor 0.260200 -2
torsion bond
N cor C cor N cor H cor 0.002170 -2
torsion
O cor C cor N cor N cor 0.434000 -2 1.60 1.60 3.00 0.00
dump every urea_001_cut1.res
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