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