Page 419 - Handbook Of Multiphase Flow Assurance

418 10. Research methods in flow assurance

DDhyd = 0.0152D0
RRhyd = 3.195D0
DDcar = 0.0951D0
RRcar = 3.8983D0
C
DDoxy = 0.0957D0
RRoxy = 3.4046D0
DDnit = 0.0774D0
RRnit = 3.6621D0
C ... hydrogen
IF (iatomtype(j,1) .EQ. 1) THEN
Dj = DDhyd
Rj = RRhyd
ENDIF
C ... carbon
IF (iatomtype(j,1) .EQ. 2) THEN
Dj = DDcar
Rj = RRcar
ENDIF
C ... oxygen
IF (iatomtype(j,1) .EQ. 3) THEN
Dj = DDoxy
Rj = RRoxy
ENDIF
C ... nitrogen
IF (iatomtype(j,1) .EQ. 4) THEN
Dj = DDnit
Rj = RRnit
ENDIF
C ... add more atoms types here if needed
C
RETURN
END
C
C-------------------------------------------------------------------
C
SUBROUTINE HBPARM
IMPLICIT REAL*8(A-H,O-Z)
COMMON /types / iatomtype(1000,2),nbondfound,natom,ngroups,ncall
COMMON /LJPAM / DD(6,1000), RR(6,1000), DHB(1000), RHB(1000)
COMMON /NATOMS/ Norgn, Nwatrs, M1, M2, M3, M4
COMMON /POTPAM/ Casqof,Co,Rsqon,Rsqoff,Rcut,Pi,Tk,Temp
COMMON /WPOS / xw(6000,3), yw(6000,3), zw(6000,3), qw(3)
COMMON /atoms / atomdata(1000,4),atomdata2(1000,4)
COMMON /chain / monodata(100,100),monocount(99),nbackbone