Page 417 - Handbook Of Multiphase Flow Assurance

416 10. Research methods in flow assurance

endif

RETURN
END
C
C-------------------------------------------------------------------
C
DOUBLE PRECISION FUNCTION ANGL(Cb,Sb)
real*8 cb,sb,pi
pi=datan(1.d0)*4.d0
if(cb.ge.0.d0) then
angl=180.D0/pi *dasin(sb)
else
angl=180.d0/pi *(pi-dasin(sb))
endif
return
END
C
C-------------------------------------------------------------------
C
SUBROUTINE LJPARM
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
C
C ... cutoff distance (A) for LJ potential
C
Rcut = 8.5D0
C
C ... set LJ parameters for atoms on solid water surface
C Parameters for SPC (Berendsen, et al., Intermolecular Forces, 1981)
DDhwa = 0.000D0
RRhyd = 0.000D0
DDoxy = 0.1625D0
RRoxy = 3.1656D0

C Assign the polymer-water interaction parameters
C ... outer loop over one water molecule
DO 10 I = 1, 3
Di = DDhwa
Ri = RRhyd
itype=5
IF (I.EQ.3) THEN