share/top/charmm27.ff/forcefield.itp

   1 *******************************************************************************
   2 *                    CHARMM port writted by                                   *
   3 *                    Par Bjelkmar, Per Larsson, Michel Cuendet,               *
   4 *                    Berk Hess and Erik Lindahl.                              *
   5 *                    Correspondance:                                          *
   6 *                    bjelkmar@cbr.su.se or lindahl@cbr.su.se                  *
   7 *******************************************************************************
   8
   9
  10 #define _FF_CHARMM
  11 [ defaults ]
  12 ; nbfunc        comb-rule       gen-pairs       fudgeLJ fudgeQQ
  13 1       2       yes     1.0     1.0
  14
  15 #include "ffnonbonded.itp"
  16 #include "ffbonded.itp"
  17 #include "gb.itp"
  18 #include "cmap.itp"
  19 ; Nucleic acids nonbonded and bonded parameters"
  20 #include "ffnanonbonded.itp"
  21 #include "ffnabonded.itp"