ballaneypranav

POPC Topology from Lipidbook

Mar 15th, 2021 (edited)
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  1. ; source: https://lipidbook.org/package/show/id/152.html
  2.  
  3. [moleculetype]
  4. ; molname nrexcl
  5. POPC 1
  6.  
  7. [ atoms ]
  8. ; nr type resnr resid atom cgnr charge mass
  9. 1 Q0 1 POPC NC3 1 1.0000 72.0000
  10. 2 Qa 1 POPC PO4 2 -1.0000 72.0000
  11. 3 Na 1 POPC GL1 3 0.0000 72.0000
  12. 4 Na 1 POPC GL2 4 0.0000 72.0000
  13. 5 C1 1 POPC C1A 5 0.0000 72.0000
  14. 6 C1 1 POPC C2A 6 0.0000 72.0000
  15. 7 C1 1 POPC C3A 7 0.0000 72.0000
  16. 8 C1 1 POPC C4A 8 0.0000 72.0000
  17. 9 C1 1 POPC C1B 9 0.0000 72.0000
  18. 10 C1 1 POPC C2B 10 0.0000 72.0000
  19. 11 C3 1 POPC D3B 11 0.0000 72.0000
  20. 12 C1 1 POPC C4B 12 0.0000 72.0000
  21. 13 C1 1 POPC C5B 13 0.0000 72.0000
  22.  
  23. [ bonds ]
  24. ;nums func ref fc
  25. 1 2 1 0.4730 1.2500e+03
  26. 2 3 1 0.4800 1.2500e+03
  27. 2 4 1 0.5130 1.2500e+03
  28. 3 4 1 0.4020 1.2500e+03
  29. 4 5 1 0.4700 1.2500e+03
  30. 5 6 1 0.4700 1.2500e+03
  31. 6 7 1 0.4700 1.2500e+03
  32. 7 8 1 0.4700 1.2500e+03
  33. 3 9 1 0.4700 1.2500e+03
  34. 9 10 1 0.4700 1.2500e+03
  35. 10 11 1 0.4700 1.2500e+03
  36. 11 12 1 0.4700 1.2500e+03
  37. 12 13 1 0.4700 1.2500e+03
  38.  
  39.  
  40. [ angles ]
  41. ;atoms func ref fc
  42. 2 3 9 2 180.0000 2.5000e+01
  43. 3 4 5 2 120 45
  44. 4 3 9 2 120 45
  45. 4 5 6 2 180.0000 2.5000e+01
  46. 5 6 7 2 180.0000 2.5000e+01
  47. 6 7 8 2 180.0000 2.5000e+01
  48. 3 9 10 2 180.0000 2.5000e+01
  49. 9 10 11 2 180.0000 2.5000e+01
  50. ; 10 11 12 2 120.0000 4.5000e+01
  51. 10 11 12 2 145.0000 4.5000e+01
  52. 11 12 13 2 180.0000 2.5000e+01
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