CHARMM Element source/fcm/gamess.fcm 1.1
##IF GAMESS QUANTUM CADPAC (gamess_fcm)
C
C     Defines the data necessary for a GAMESS calculation on a system.
C
C NOTE: DO NOT MODIFY, UNLESS THE PARENT CODE IN GAMESS IS ALSO CHANGED!
C         
C  
C     Variable  Index    Purpose 
C 
C     MAXGMS             Maximum number of GAMESS atoms allowed
C     IGMSEL             Selection for calls from gamess
C     QGMREM             Flag to remove all classical energies
C                        within QM atoms
C     QGMEXG             Exclude all atoms of link host atom group
C                        from QM/MM electrostatic energy term.
C     QBLUCH             Flag controlling use of blurred charges
C     QNOGU              Flag for initial guess control
C     QINIGM             Flag for initialization of GAMESS code
C
C
      INTEGER IGMSEL
      COMMON /GMSSEL/ IGMSEL(MAXA)
C
      INTEGER MAXGMS
      PARAMETER (MAXGMS = 500)
C
      LOGICAL QGMREM,QGMEXG,QINIGM,QBLUCH,QNOGU
      COMMON /GAMESL/QGMREM,QGMEXG,QINIGM,QBLUCH,QNOGU
C
      INTEGER NGAMES,NQQCHG
      REAL*8 QQCHG,FQQCHG
      COMMON /CGAMES/ NGAMES,NQQCHG,QQCHG(MAXGMS),FQQCHG(MAXGMS)
C
##IFN CADPAC
      REAL*8  UZNUC,CUNIQ
      INTEGER NATREL
      CHARACTER*10 UATOM
C
      COMMON /COORDN/ UZNUC(MAXGMS),CUNIQ(MAXGMS,3),NATREL,UATOM(MAXGMS)
C
C
C     Blurred charges variables:
CCC     MAXBLU      Maximum number of blurred charges, 
CCC                 must not exceed MXATM=500 in GAMESS
C     MAXBLU      Maximum number of blurred charges.
C     NBLUCH      Number of blurred charges
C     IBLUCH      Pointer array of which charges are blurred
C     EBLUCH      Values of exponents for blurred charges
C                 calculated from WMAIN: ebluch=(a.u./wmain)**2
C     CBLUCH      Preexponential factor calculated from CG
C                 CBLUCH=CG/WMAIN**3/2/sqrt(PI**3)
C     CGBLCH      Array to store CG values for blurred charges
C                 so CG can be put to zero.
C     SGBLCH      Array to store Sigma values for blurred charges
C                 To simplify formulae.
C
      INTEGER MAXBLU
      PARAMETER (MAXBLU=25120)
      INTEGER NBLUCH,IBLUCH
      REAL*8 EBLUCH,CBLUCH
      COMMON /BLUR/EBLUCH(MAXBLU),CBLUCH(MAXBLU),IBLUCH(MAXBLU),NBLUCH
C
C     Not needed in the GAMESS:
      REAL*8 CGBLCH,SGBLCH
      COMMON /MBLUR/ CGBLCH(MAXBLU), SGBLCH(MAXBLU)
C
C     This COMMON block is the same as in gamess.src
C
C     MXCHRM         Maximum nubmer of MM atoms (here this is  SIZE)
C                    This number has to be specified also in gamess.src
C     NCHMAT         Number of MM atoms in QM calculation
C     KCHRMM         Flag to tell GAMESS if it is in CHARMM environment
C     {X,Y,Z}CHM     Coordinates of perturbing charges from MM to QM
C     D{X,Y,Z}ELMM   Forces from QM electrons to MM atoms
C     QCHM           Atomic charges of MM atoms
C
      INTEGER MXCHRM,NCHMAT,KCHRMM
CCCC      PARAMETER (MXCHRM=SIZE)
C     This is currently in GAMESS
      PARAMETER (MXCHRM=25120)
C
      REAL*8 XCHM,YCHM,ZCHM,QCHM,DXELMM,DYELMM,DZELMM,KGUES
      COMMON /CHMGMS/ XCHM(MXCHRM),YCHM(MXCHRM),ZCHM(MXCHRM),
     *                DXELMM(MXCHRM),DYELMM(MXCHRM),DZELMM(MXCHRM),
     *                QCHM(MXCHRM),NCHMAT,KCHRMM,KGUES
C
CC##IF SAVEFCM
      SAVE /CHMGMS/
CC##ENDIF
##ENDIF
##ENDIF (gamess_fcm)

##IF GAMESSUK 
C
      INTEGER IGMSEL 
      COMMON /GMSSEL/ IGMSEL(MAXA) 
 
      LOGICAL QGMREM,QGMEXG,QINIGM,QBLUCH 
      COMMON /GAMESL/QGMREM,QGMEXG,QINIGM,QBLUCH 
 
      INTEGER NGAMES,NQQCHG 
      REAL*8 QQCHG,FQQCHG 
      REAL*8 A2MASS
      COMMON /CGAMES/ NGAMES,NQQCHG,QQCHG(MAXA),FQQCHG(MAXA),
     & A2MASS(MAXA) 

      INTEGER NCHMAT, NBLUCH, gmsmap
      COMMON /PAULXXX/ NCHMAT, NBLUCH, gmsmap(maxa)
 
##ENDIF 
C