forked from lijiext/lammps
127 lines
6.8 KiB
Plaintext
127 lines
6.8 KiB
Plaintext
PSF
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1 !NTITLE
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REMARKS VMD-generated NAMD/X-Plor PSF structure file
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84 !NATOM
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1 0 UNK O O 0.000000 12.0000 0
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2 0 UNK C C 0.000000 12.0000 0
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3 0 UNK O O 0.000000 12.0000 0
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4 0 UNK H H 0.000000 12.0000 0
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5 0 UNK H H 0.000000 12.0000 0
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6 0 UNK H H 0.000000 12.0000 0
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7 0 UNK C C 0.000000 12.0000 0
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8 0 UNK C C 0.000000 12.0000 0
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9 0 UNK O O 0.000000 12.0000 0
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10 0 UNK O O 0.000000 12.0000 0
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11 0 UNK C C 0.000000 12.0000 0
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12 0 UNK C C 0.000000 12.0000 0
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13 0 UNK C C 0.000000 12.0000 0
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14 0 UNK C C 0.000000 12.0000 0
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15 0 UNK C C 0.000000 12.0000 0
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16 0 UNK C C 0.000000 12.0000 0
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17 0 UNK C C 0.000000 12.0000 0
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18 0 UNK O O 0.000000 12.0000 0
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19 0 UNK 10 10 0.000000 12.0000 0
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20 0 UNK H H 0.000000 12.0000 0
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21 0 UNK H H 0.000000 12.0000 0
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22 0 UNK H H 0.000000 12.0000 0
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23 0 UNK 11 11 0.000000 12.0000 0
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24 0 UNK 11 11 0.000000 12.0000 0
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25 0 UNK 11 11 0.000000 12.0000 0
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26 0 UNK 11 11 0.000000 12.0000 0
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27 0 UNK 10 10 0.000000 12.0000 0
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28 0 UNK C C 0.000000 12.0000 0
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29 0 UNK C C 0.000000 12.0000 0
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30 0 UNK O O 0.000000 12.0000 0
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31 0 UNK O O 0.000000 12.0000 0
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32 0 UNK 10 10 0.000000 12.0000 0
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33 0 UNK H H 0.000000 12.0000 0
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34 0 UNK H H 0.000000 12.0000 0
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35 0 UNK C C 0.000000 12.0000 0
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36 0 UNK C C 0.000000 12.0000 0
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37 0 UNK O O 0.000000 12.0000 0
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38 0 UNK O O 0.000000 12.0000 0
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39 0 UNK 10 10 0.000000 12.0000 0
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40 0 UNK H H 0.000000 12.0000 0
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41 0 UNK H H 0.000000 12.0000 0
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42 0 UNK C C 0.000000 12.0000 0
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43 0 UNK C C 0.000000 12.0000 0
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44 0 UNK O O 0.000000 12.0000 0
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45 0 UNK O O 0.000000 12.0000 0
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46 0 UNK C C 0.000000 12.0000 0
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47 0 UNK C C 0.000000 12.0000 0
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48 0 UNK C C 0.000000 12.0000 0
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49 0 UNK C C 0.000000 12.0000 0
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50 0 UNK C C 0.000000 12.0000 0
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51 0 UNK C C 0.000000 12.0000 0
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52 0 UNK C C 0.000000 12.0000 0
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53 0 UNK 10 10 0.000000 12.0000 0
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54 0 UNK H H 0.000000 12.0000 0
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55 0 UNK H H 0.000000 12.0000 0
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56 0 UNK H H 0.000000 12.0000 0
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57 0 UNK 11 11 0.000000 12.0000 0
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58 0 UNK 11 11 0.000000 12.0000 0
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59 0 UNK 11 11 0.000000 12.0000 0
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60 0 UNK 11 11 0.000000 12.0000 0
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61 0 UNK 11 11 0.000000 12.0000 0
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62 0 UNK C C 0.000000 12.0000 0
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63 0 UNK C C 0.000000 12.0000 0
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64 0 UNK O O 0.000000 12.0000 0
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65 0 UNK O O 0.000000 12.0000 0
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66 0 UNK C C 0.000000 12.0000 0
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67 0 UNK C C 0.000000 12.0000 0
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68 0 UNK 12 12 0.000000 12.0000 0
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69 0 UNK C C 0.000000 12.0000 0
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70 0 UNK 10 10 0.000000 12.0000 0
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71 0 UNK H H 0.000000 12.0000 0
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72 0 UNK H H 0.000000 12.0000 0
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73 0 UNK H H 0.000000 12.0000 0
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74 0 UNK H H 0.000000 12.0000 0
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75 0 UNK H H 0.000000 12.0000 0
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76 0 UNK H H 0.000000 12.0000 0
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77 0 UNK H H 0.000000 12.0000 0
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78 0 UNK H H 0.000000 12.0000 0
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79 0 UNK C C 0.000000 12.0000 0
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80 0 UNK C C 0.000000 12.0000 0
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81 0 UNK 10 10 0.000000 12.0000 0
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82 0 UNK H H 0.000000 12.0000 0
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83 0 UNK H H 0.000000 12.0000 0
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84 0 UNK H H 0.000000 12.0000 0
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0 !NBOND: bonds
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0 !NTHETA: angles
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0 !NPHI: dihedrals
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0 !NIMPHI: impropers
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0 !NDON: donors
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0 !NACC: acceptors
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0 !NNB
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0 0 0 0 0
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0 0 0 0
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1 0 !NGRP
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0 0 0
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