May be of interest to you: http://wiki.gromacs.org/index.php/Carbon_Nanotube
However, not surprising pdb2gmx failed, since UNK is not a residue specified in the residue database. pdb2gmx uses the residue name to determine what residue a particular part of your system is, then use the appropriate parameters. Since you have made a custom residue, then typically you skip the pdb2gmx step altogether, constructing the topology file by hand, or using x2top In the above link, there is a passage: "Fourth become familiar with the formatting of a .pdb File and what exactly a residue is!" How did you get the topology file previously? Catch ya, Dr Dallas Warren Pharmacy and Pharmaceutical Sciences Monash University A polar bear is a Cartesian bear that has undergone a polar transformation -----Original Message----- From: [email protected] on behalf of ksm tprk Sent: Fri 2/6/2009 3:50 PM To: [email protected] Subject: [gmx-users] Reidue UNK not found Hello I was using GROMACS 3.3.1 for few months and it was working pretty good. After that I wanted > to use new GROMACS 4.0.3 but I came across a problem. I looked at GROMACS > mailing list but I couldn't fix it. > > My code is: > > pdb2gmx -f nano.pdb -p nano.top > > and the error is: > > Residue 'UNK' not found in residue topology database > > If you have any idea to fix my problem, I will very glad. > Thank you in advance. > > K. TOPRAK > TX-USA > > > > > nano.pdb file is: > > HEADER PROTEIN > TITLE (5,5) Nanotube (1,1,10) replication > AUTHOR TubeGen 3.3, J T Frey, University of Delaware > EXPDTA THEORETICAL MODEL > ATOM 1 C UNK 1 3.410 0.000 -12.312 1.00 0.00 > ATOM 2 C UNK 1 3.113 1.390 -12.312 1.00 0.00 > ATOM 3 C UNK 1 2.758 2.004 -11.081 1.00 0.00 > ATOM 4 C UNK 1 1.702 2.954 -11.081 1.00 0.00 > ATOM 5 C UNK 1 1.054 3.243 -12.312 1.00 0.00 > ATOM 6 C UNK 1 -0.360 3.391 -12.312 1.00 0.00 > ATOM 7 C UNK 1 -1.054 3.243 -11.081 1.00 0.00 > ATOM 8 C UNK 1 -2.284 2.532 -11.081 1.00 0.00 > ATOM 9 C UNK 1 -2.758 2.004 -12.312 1.00 0.00 > ATOM 10 C UNK 1 -3.336 0.706 -12.312 1.00 0.00 > ATOM 11 C UNK 1 -3.410 0.000 -11.081 1.00 0.00 > ATOM 12 C UNK 1 -3.113 -1.390 -11.081 1.00 0.00 > ATOM 13 C UNK 1 -2.758 -2.004 -12.312 1.00 0.00 > ATOM 14 C UNK 1 -1.702 -2.954 -12.312 1.00 0.00 > ATOM 15 C UNK 1 -1.054 -3.243 -11.081 1.00 0.00 > ATOM 16 C UNK 1 0.360 -3.391 -11.081 1.00 0.00 > ATOM 17 C UNK 1 1.054 -3.243 -12.312 1.00 0.00 > ATOM 18 C UNK 1 2.284 -2.532 -12.312 1.00 0.00 > ATOM 19 C UNK 1 2.758 -2.004 -11.081 1.00 0.00 > ATOM 20 C UNK 1 3.336 -0.706 -11.081 1.00 0.00 > ATOM 21 C UNK 1 3.410 0.000 -9.849 1.00 0.00 > ATOM 22 C UNK 1 3.113 1.390 -9.849 1.00 0.00 > ATOM 23 C UNK 1 2.758 2.004 -8.618 1.00 0.00 > ATOM 24 C UNK 1 1.702 2.954 -8.618 1.00 0.00 > ATOM 25 C UNK 1 1.054 3.243 -9.849 1.00 0.00 > ATOM 26 C UNK 1 -0.360 3.391 -9.849 1.00 0.00 > ATOM 27 C UNK 1 -1.054 3.243 -8.618 1.00 0.00 > ATOM 28 C UNK 1 -2.284 2.532 -8.618 1.00 0.00 > ATOM 29 C UNK 1 -2.758 2.004 -9.849 1.00 0.00 > ATOM 30 C UNK 1 -3.336 0.706 -9.849 1.00 0.00 > ATOM 31 C UNK 1 -3.410 0.000 -8.618 1.00 0.00 > ATOM 32 C UNK 1 -3.113 -1.390 -8.618 1.00 0.00 > ATOM 33 C UNK 1 -2.758 -2.004 -9.849 1.00 0.00 > ATOM 34 C UNK 1 -1.702 -2.954 -9.849 1.00 0.00 > ATOM 35 C UNK 1 -1.054 -3.243 -8.618 1.00 0.00 > ATOM 36 C UNK 1 0.360 -3.391 -8.618 1.00 0.00 > ATOM 37 C UNK 1 1.054 -3.243 -9.849 1.00 0.00 > ATOM 38 C UNK 1 2.284 -2.532 -9.849 1.00 0.00 > ATOM 39 C UNK 1 2.758 -2.004 -8.618 1.00 0.00 > ATOM 40 C UNK 1 3.336 -0.706 -8.618 1.00 0.00 > ATOM 41 C UNK 1 3.410 0.000 -7.387 1.00 0.00 > ATOM 42 C UNK 1 3.113 1.390 -7.387 1.00 0.00 > ATOM 43 C UNK 1 2.758 2.004 -6.156 1.00 0.00 > ATOM 44 C UNK 1 1.702 2.954 -6.156 1.00 0.00 > ATOM 45 C UNK 1 1.054 3.243 -7.387 1.00 0.00 > ATOM 46 C UNK 1 -0.360 3.391 -7.387 1.00 0.00 > ATOM 47 C UNK 1 -1.054 3.243 -6.156 1.00 0.00 > ATOM 48 C UNK 1 -2.284 2.532 -6.156 1.00 0.00 > ATOM 49 C UNK 1 -2.758 2.004 -7.387 1.00 0.00 > ATOM 50 C UNK 1 -3.336 0.706 -7.387 1.00 0.00 > ATOM 51 C UNK 1 -3.410 0.000 -6.156 1.00 0.00 > ATOM 52 C UNK 1 -3.113 -1.390 -6.156 1.00 0.00 > ATOM 53 C UNK 1 -2.758 -2.004 -7.387 1.00 0.00 > ATOM 54 C UNK 1 -1.702 -2.954 -7.387 1.00 0.00 > ATOM 55 C UNK 1 -1.054 -3.243 -6.156 1.00 0.00 > ATOM 56 C UNK 1 0.360 -3.391 -6.156 1.00 0.00 > ATOM 57 C UNK 1 1.054 -3.243 -7.387 1.00 0.00 > ATOM 58 C UNK 1 2.284 -2.532 -7.387 1.00 0.00 > ATOM 59 C UNK 1 2.758 -2.004 -6.156 1.00 0.00 > ATOM 60 C UNK 1 3.336 -0.706 -6.156 1.00 0.00 > ATOM 61 C UNK 1 3.410 0.000 -4.925 1.00 0.00 > ATOM 62 C UNK 1 3.113 1.390 -4.925 1.00 0.00 > ATOM 63 C UNK 1 2.758 2.004 -3.694 1.00 0.00 > ATOM 64 C UNK 1 1.702 2.954 -3.694 1.00 0.00 > ATOM 65 C UNK 1 1.054 3.243 -4.925 1.00 0.00 > ATOM 66 C UNK 1 -0.360 3.391 -4.925 1.00 0.00 > ATOM 67 C UNK 1 -1.054 3.243 -3.694 1.00 0.00 > ATOM 68 C UNK 1 -2.284 2.532 -3.694 1.00 0.00 > ATOM 69 C UNK 1 -2.758 2.004 -4.925 1.00 0.00 > ATOM 70 C UNK 1 -3.336 0.706 -4.925 1.00 0.00 > ATOM 71 C UNK 1 -3.410 0.000 -3.694 1.00 0.00 > ATOM 72 C UNK 1 -3.113 -1.390 -3.694 1.00 0.00 > ATOM 73 C UNK 1 -2.758 -2.004 -4.925 1.00 0.00 > ATOM 74 C UNK 1 -1.702 -2.954 -4.925 1.00 0.00 > ATOM 75 C UNK 1 -1.054 -3.243 -3.694 1.00 0.00 > ATOM 76 C UNK 1 0.360 -3.391 -3.694 1.00 0.00 > ATOM 77 C UNK 1 1.054 -3.243 -4.925 1.00 0.00 > ATOM 78 C UNK 1 2.284 -2.532 -4.925 1.00 0.00 > ATOM 79 C UNK 1 2.758 -2.004 -3.694 1.00 0.00 > ATOM 80 C UNK 1 3.336 -0.706 -3.694 1.00 0.00 > ATOM 81 C UNK 1 3.410 0.000 -2.462 1.00 0.00 > ATOM 82 C UNK 1 3.113 1.390 -2.462 1.00 0.00 > ATOM 83 C UNK 1 2.758 2.004 -1.231 1.00 0.00 > ATOM 84 C UNK 1 1.702 2.954 -1.231 1.00 0.00 > ATOM 85 C UNK 1 1.054 3.243 -2.462 1.00 0.00 > ATOM 86 C UNK 1 -0.360 3.391 -2.462 1.00 0.00 > ATOM 87 C UNK 1 -1.054 3.243 -1.231 1.00 0.00 > ATOM 88 C UNK 1 -2.284 2.532 -1.231 1.00 0.00 > ATOM 89 C UNK 1 -2.758 2.004 -2.462 1.00 0.00 > ATOM 90 C UNK 1 -3.336 0.706 -2.462 1.00 0.00 > ATOM 91 C UNK 1 -3.410 0.000 -1.231 1.00 0.00 > ATOM 92 C UNK 1 -3.113 -1.390 -1.231 1.00 0.00 > ATOM 93 C UNK 1 -2.758 -2.004 -2.462 1.00 0.00 > ATOM 94 C UNK 1 -1.702 -2.954 -2.462 1.00 0.00 > ATOM 95 C UNK 1 -1.054 -3.243 -1.231 1.00 0.00 > ATOM 96 C UNK 1 0.360 -3.391 -1.231 1.00 0.00 > ATOM 97 C UNK 1 1.054 -3.243 -2.462 1.00 0.00 > ATOM 98 C UNK 1 2.284 -2.532 -2.462 1.00 0.00 > ATOM 99 C UNK 1 2.758 -2.004 -1.231 1.00 0.00 > ATOM 100 C UNK 1 3.336 -0.706 -1.231 1.00 0.00 > ATOM 101 C UNK 1 3.410 0.000 0.000 1.00 0.00 > ATOM 102 C UNK 1 3.113 1.390 0.000 1.00 0.00 > ATOM 103 C UNK 1 2.758 2.004 1.231 1.00 0.00 > ATOM 104 C UNK 1 1.702 2.954 1.231 1.00 0.00 > ATOM 105 C UNK 1 1.054 3.243 0.000 1.00 0.00 > ATOM 106 C UNK 1 -0.360 3.391 0.000 1.00 0.00 > ATOM 107 C UNK 1 -1.054 3.243 1.231 1.00 0.00 > ATOM 108 C UNK 1 -2.284 2.532 1.231 1.00 0.00 > ATOM 109 C UNK 1 -2.758 2.004 0.000 1.00 0.00 > ATOM 110 C UNK 1 -3.336 0.706 0.000 1.00 0.00 > ATOM 111 C UNK 1 -3.410 0.000 1.231 1.00 0.00 > ATOM 112 C UNK 1 -3.113 -1.390 1.231 1.00 0.00 > ATOM 113 C UNK 1 -2.758 -2.004 0.000 1.00 0.00 > ATOM 114 C UNK 1 -1.702 -2.954 0.000 1.00 0.00 > ATOM 115 C UNK 1 -1.054 -3.243 1.231 1.00 0.00 > ATOM 116 C UNK 1 0.360 -3.391 1.231 1.00 0.00 > ATOM 117 C UNK 1 1.054 -3.243 0.000 1.00 0.00 > ATOM 118 C UNK 1 2.284 -2.532 0.000 1.00 0.00 > ATOM 119 C UNK 1 2.758 -2.004 1.231 1.00 0.00 > ATOM 120 C UNK 1 3.336 -0.706 1.231 1.00 0.00 > ATOM 121 C UNK 1 3.410 0.000 2.462 1.00 0.00 > ATOM 122 C UNK 1 3.113 1.390 2.462 1.00 0.00 > ATOM 123 C UNK 1 2.758 2.004 3.694 1.00 0.00 > ATOM 124 C UNK 1 1.702 2.954 3.694 1.00 0.00 > ATOM 125 C UNK 1 1.054 3.243 2.462 1.00 0.00 > ATOM 126 C UNK 1 -0.360 3.391 2.462 1.00 0.00 > ATOM 127 C UNK 1 -1.054 3.243 3.694 1.00 0.00 > ATOM 128 C UNK 1 -2.284 2.532 3.694 1.00 0.00 > ATOM 129 C UNK 1 -2.758 2.004 2.462 1.00 0.00 > ATOM 130 C UNK 1 -3.336 0.706 2.462 1.00 0.00 > ATOM 131 C UNK 1 -3.410 0.000 3.694 1.00 0.00 > ATOM 132 C UNK 1 -3.113 -1.390 3.694 1.00 0.00 > ATOM 133 C UNK 1 -2.758 -2.004 2.462 1.00 0.00 > ATOM 134 C UNK 1 -1.702 -2.954 2.462 1.00 0.00 > ATOM 135 C UNK 1 -1.054 -3.243 3.694 1.00 0.00 > ATOM 136 C UNK 1 0.360 -3.391 3.694 1.00 0.00 > ATOM 137 C UNK 1 1.054 -3.243 2.462 1.00 0.00 > ATOM 138 C UNK 1 2.284 -2.532 2.462 1.00 0.00 > ATOM 139 C UNK 1 2.758 -2.004 3.694 1.00 0.00 > ATOM 140 C UNK 1 3.336 -0.706 3.694 1.00 0.00 > ATOM 141 C UNK 1 3.410 0.000 4.925 1.00 0.00 > ATOM 142 C UNK 1 3.113 1.390 4.925 1.00 0.00 > ATOM 143 C UNK 1 2.758 2.004 6.156 1.00 0.00 > ATOM 144 C UNK 1 1.702 2.954 6.156 1.00 0.00 > ATOM 145 C UNK 1 1.054 3.243 4.925 1.00 0.00 > ATOM 146 C UNK 1 -0.360 3.391 4.925 1.00 0.00 > ATOM 147 C UNK 1 -1.054 3.243 6.156 1.00 0.00 > ATOM 148 C UNK 1 -2.284 2.532 6.156 1.00 0.00 > ATOM 149 C UNK 1 -2.758 2.004 4.925 1.00 0.00 > ATOM 150 C UNK 1 -3.336 0.706 4.925 1.00 0.00 > ATOM 151 C UNK 1 -3.410 0.000 6.156 1.00 0.00 > ATOM 152 C UNK 1 -3.113 -1.390 6.156 1.00 0.00 > ATOM 153 C UNK 1 -2.758 -2.004 4.925 1.00 0.00 > ATOM 154 C UNK 1 -1.702 -2.954 4.925 1.00 0.00 > ATOM 155 C UNK 1 -1.054 -3.243 6.156 1.00 0.00 > ATOM 156 C UNK 1 0.360 -3.391 6.156 1.00 0.00 > ATOM 157 C UNK 1 1.054 -3.243 4.925 1.00 0.00 > ATOM 158 C UNK 1 2.284 -2.532 4.925 1.00 0.00 > ATOM 159 C UNK 1 2.758 -2.004 6.156 1.00 0.00 > ATOM 160 C UNK 1 3.336 -0.706 6.156 1.00 0.00 > ATOM 161 C UNK 1 3.410 0.000 7.387 1.00 0.00 > ATOM 162 C UNK 1 3.113 1.390 7.387 1.00 0.00 > ATOM 163 C UNK 1 2.758 2.004 8.618 1.00 0.00 > ATOM 164 C UNK 1 1.702 2.954 8.618 1.00 0.00 > ATOM 165 C UNK 1 1.054 3.243 7.387 1.00 0.00 > ATOM 166 C UNK 1 -0.360 3.391 7.387 1.00 0.00 > ATOM 167 C UNK 1 -1.054 3.243 8.618 1.00 0.00 > ATOM 168 C UNK 1 -2.284 2.532 8.618 1.00 0.00 > ATOM 169 C UNK 1 -2.758 2.004 7.387 1.00 0.00 > ATOM 170 C UNK 1 -3.336 0.706 7.387 1.00 0.00 > ATOM 171 C UNK 1 -3.410 0.000 8.618 1.00 0.00 > ATOM 172 C UNK 1 -3.113 -1.390 8.618 1.00 0.00 > ATOM 173 C UNK 1 -2.758 -2.004 7.387 1.00 0.00 > ATOM 174 C UNK 1 -1.702 -2.954 7.387 1.00 0.00 > ATOM 175 C UNK 1 -1.054 -3.243 8.618 1.00 0.00 > ATOM 176 C UNK 1 0.360 -3.391 8.618 1.00 0.00 > ATOM 177 C UNK 1 1.054 -3.243 7.387 1.00 0.00 > ATOM 178 C UNK 1 2.284 -2.532 7.387 1.00 0.00 > ATOM 179 C UNK 1 2.758 -2.004 8.618 1.00 0.00 > ATOM 180 C UNK 1 3.336 -0.706 8.618 1.00 0.00 > ATOM 181 C UNK 1 3.410 0.000 9.849 1.00 0.00 > ATOM 182 C UNK 1 3.113 1.390 9.849 1.00 0.00 > ATOM 183 C UNK 1 2.758 2.004 11.081 1.00 0.00 > ATOM 184 C UNK 1 1.702 2.954 11.081 1.00 0.00 > ATOM 185 C UNK 1 1.054 3.243 9.849 1.00 0.00 > ATOM 186 C UNK 1 -0.360 3.391 9.849 1.00 0.00 > ATOM 187 C UNK 1 -1.054 3.243 11.081 1.00 0.00 > ATOM 188 C UNK 1 -2.284 2.532 11.081 1.00 0.00 > ATOM 189 C UNK 1 -2.758 2.004 9.849 1.00 0.00 > ATOM 190 C UNK 1 -3.336 0.706 9.849 1.00 0.00 > ATOM 191 C UNK 1 -3.410 0.000 11.081 1.00 0.00 > ATOM 192 C UNK 1 -3.113 -1.390 11.081 1.00 0.00 > ATOM 193 C UNK 1 -2.758 -2.004 9.849 1.00 0.00 > ATOM 194 C UNK 1 -1.702 -2.954 9.849 1.00 0.00 > ATOM 195 C UNK 1 -1.054 -3.243 11.081 1.00 0.00 > ATOM 196 C UNK 1 0.360 -3.391 11.081 1.00 0.00 > ATOM 197 C UNK 1 1.054 -3.243 9.849 1.00 0.00 > ATOM 198 C UNK 1 2.284 -2.532 9.849 1.00 0.00 > ATOM 199 C UNK 1 2.758 -2.004 11.081 1.00 0.00 > ATOM 200 C UNK 1 3.336 -0.706 11.081 1.00 0.00 > CONECT 1 2 20 > CONECT 2 1 3 > CONECT 3 2 4 22 > CONECT 4 3 5 25 > CONECT 5 4 6 > CONECT 6 5 7 > CONECT 7 6 8 26 > CONECT 8 7 9 29 > CONECT 9 8 10 > CONECT 10 9 11 > CONECT 11 10 12 30 > CONECT 12 11 13 33 > CONECT 13 12 14 > CONECT 14 13 15 > CONECT 15 14 16 34 > CONECT 16 15 17 37 > CONECT 17 16 18 > CONECT 18 17 19 > CONECT 19 18 20 38 > CONECT 20 1 19 21 > CONECT 21 20 22 40 > CONECT 22 3 21 23 > CONECT 23 22 24 42 > CONECT 24 23 25 45 > CONECT 25 4 24 26 > CONECT 26 7 25 27 > CONECT 27 26 28 46 > CONECT 28 27 29 49 > CONECT 29 8 28 30 > CONECT 30 11 29 31 > CONECT 31 30 32 50 > CONECT 32 31 33 53 > CONECT 33 12 32 34 > CONECT 34 15 33 35 > CONECT 35 34 36 54 > CONECT 36 35 37 57 > CONECT 37 16 36 38 > CONECT 38 19 37 39 > CONECT 39 38 40 58 > CONECT 40 21 39 41 > CONECT 41 40 42 60 > CONECT 42 23 41 43 > CONECT 43 42 44 62 > CONECT 44 43 45 65 > CONECT 45 24 44 46 > CONECT 46 27 45 47 > CONECT 47 46 48 66 > CONECT 48 47 49 69 > CONECT 49 28 48 50 > CONECT 50 31 49 51 > CONECT 51 50 52 70 > CONECT 52 51 53 73 > CONECT 53 32 52 54 > CONECT 54 35 53 55 > CONECT 55 54 56 74 > CONECT 56 55 57 77 > CONECT 57 36 56 58 > CONECT 58 39 57 59 > CONECT 59 58 60 78 > CONECT 60 41 59 61 > CONECT 61 60 62 80 > CONECT 62 43 61 63 > CONECT 63 62 64 82 > CONECT 64 63 65 85 > CONECT 65 44 64 66 > CONECT 66 47 65 67 > CONECT 67 66 68 86 > CONECT 68 67 69 89 > CONECT 69 48 68 70 > CONECT 70 51 69 71 > CONECT 71 70 72 90 > CONECT 72 71 73 93 > CONECT 73 52 72 74 > CONECT 74 55 73 75 > CONECT 75 74 76 94 > CONECT 76 75 77 97 > CONECT 77 56 76 78 > CONECT 78 59 77 79 > CONECT 79 78 80 98 > CONECT 80 61 79 81 > CONECT 81 80 82 100 > CONECT 82 63 81 83 > CONECT 83 82 84 102 > CONECT 84 83 85 105 > CONECT 85 64 84 86 > CONECT 86 67 85 87 > CONECT 87 86 88 106 > CONECT 88 87 89 109 > CONECT 89 68 88 90 > CONECT 90 71 89 91 > CONECT 91 90 92 110 > CONECT 92 91 93 113 > CONECT 93 72 92 94 > CONECT 94 75 93 95 > CONECT 95 94 96 114 > CONECT 96 95 97 117 > CONECT 97 76 96 98 > CONECT 98 79 97 99 > CONECT 99 98 100 118 > CONECT 100 81 99 101 > CONECT 101 100 102 120 > CONECT 102 83 101 103 > CONECT 103 102 104 122 > CONECT 104 103 105 125 > CONECT 105 84 104 106 > CONECT 106 87 105 107 > CONECT 107 106 108 126 > CONECT 108 107 109 129 > CONECT 109 88 108 110 > CONECT 110 91 109 111 > CONECT 111 110 112 130 > CONECT 112 111 113 133 > CONECT 113 92 112 114 > CONECT 114 95 113 115 > CONECT 115 114 116 134 > CONECT 116 115 117 137 > CONECT 117 96 116 118 > CONECT 118 99 117 119 > CONECT 119 118 120 138 > CONECT 120 101 119 121 > CONECT 121 120 122 140 > CONECT 122 103 121 123 > CONECT 123 122 124 142 > CONECT 124 123 125 145 > CONECT 125 104 124 126 > CONECT 126 107 125 127 > CONECT 127 126 128 146 > CONECT 128 127 129 149 > CONECT 129 108 128 130 > CONECT 130 111 129 131 > CONECT 131 130 132 150 > CONECT 132 131 133 153 > CONECT 133 112 132 134 > CONECT 134 115 133 135 > CONECT 135 134 136 154 > CONECT 136 135 137 157 > CONECT 137 116 136 138 > CONECT 138 119 137 139 > CONECT 139 138 140 158 > CONECT 140 121 139 141 > CONECT 141 140 142 160 > CONECT 142 123 141 143 > CONECT 143 142 144 162 > CONECT 144 143 145 165 > CONECT 145 124 144 146 > CONECT 146 127 145 147 > CONECT 147 146 148 166 > CONECT 148 147 149 169 > CONECT 149 128 148 150 > CONECT 150 131 149 151 > CONECT 151 150 152 170 > CONECT 152 151 153 173 > CONECT 153 132 152 154 > CONECT 154 135 153 155 > CONECT 155 154 156 174 > CONECT 156 155 157 177 > CONECT 157 136 156 158 > CONECT 158 139 157 159 > CONECT 159 158 160 178 > CONECT 160 141 159 161 > CONECT 161 160 162 180 > CONECT 162 143 161 163 > CONECT 163 162 164 182 > CONECT 164 163 165 185 > CONECT 165 144 164 166 > CONECT 166 147 165 167 > CONECT 167 166 168 186 > CONECT 168 167 169 189 > CONECT 169 148 168 170 > CONECT 170 151 169 171 > CONECT 171 170 172 190 > CONECT 172 171 173 193 > CONECT 173 152 172 174 > CONECT 174 155 173 175 > CONECT 175 174 176 194 > CONECT 176 175 177 197 > CONECT 177 156 176 178 > CONECT 178 159 177 179 > CONECT 179 178 180 198 > CONECT 180 161 179 181 > CONECT 181 180 182 200 > CONECT 182 163 181 183 > CONECT 183 182 184 > CONECT 184 183 185 > CONECT 185 164 184 186 > CONECT 186 167 185 187 > CONECT 187 186 188 > CONECT 188 187 189 > CONECT 189 168 188 190 > CONECT 190 171 189 191 > CONECT 191 190 192 > CONECT 192 191 193 > CONECT 193 172 192 194 > CONECT 194 175 193 195 > CONECT 195 194 196 > CONECT 196 195 197 > CONECT 197 176 196 198 > CONECT 198 179 197 199 > CONECT 199 198 200 > CONECT 200 181 199 > MASTER 0 0 0 0 0 0 0 0 200 0 200 0 > END _________________________________________________________________ Want to do more with Windows Live? 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