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Apr 7th, 2011
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  1. ; Conversion of CHARMM36 parameters to GROMACS format by Thomas Piggot, July 2010.
  2. ; Partial conversion of CGenFF2b6 params to GROMACS by Peter Lai April 2011
  3. ; Also added some parameters from later CHARMM27 versions, such as those for the PS headgroup.
  4. ;
  5. ; If you use these parameters please check out the forcefield.doc for papers to cite
  6.  
  7. #define _FF_CHARMM
  8. [ defaults ]
  9. ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ
  10. 1 2 yes 1.0 1.0
  11.  
  12. #include "ffnonbonded.itp"
  13. #include "ffbonded.itp"
  14. #include "gb.itp"
  15. #include "cmap.itp"
  16. ; Nucleic acids nonbonded and bonded parameters"
  17. #include "ffnanonbonded.itp"
  18. #include "ffnabonded.itp"
  19. #include "ffgenbonded.itp"
  20. #include "ffgennonbonded.itp"
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