Page 411 - Handbook Of Multiphase Flow Assurance

410 10. Research methods in flow assurance

IMPLICIT REAL*8(A-H,O-Z)
COMMON /chain / monodata(100,100),monocount(99),nbackbone
COMMON /ESAVE / Eold,Epold,Epoly(99,99),Ep(99,99),Esurf(99),Es(99)
COMMON /SPACE / xms(1000), yms(1000), zms(1000)
COMMON /ZSAVE / zrun(100),epolymer,Erun
COMMON /NRUN / Ncycle,Ndead,Kprint,Kdprnt,Kcyc,Neq

C print average elevations of backbone atoms
print *,'Backbone segments` elevation above surface:'
deno= 3.D0*DFLOAT(Kprint)
write(*,'(99F4.1)') (zrun(i)/deno,I=11,10+nbackbone)
print *,'Simulation is complete'
RETURN
END
C
C-------------------------------------------------------------------
C
SUBROUTINE INIPOS
IMPLICIT REAL*8(A-H,O-Z)
COMMON /atoms / atomdata(1000,4),atomdata2(1000,4)
COMMON /NATOMS/ Norgn, Nwatrs, M1, M2, M3, M4
COMMON /types / iatomtype(1000,2),nbondfound,natom,ngroups,ncall
COMMON /NWPOS / xn(1000), yn(1000), zn(1000)
COMMON /SPACE / xms(1000), yms(1000), zms(1000)
COMMON /offset/ xo,yo,zo,phi,theta,xi
COMMON /ESAVE / Eold,Epold,Epoly(99,99),Ep(99,99),Esurf(99),Es(99)
COMMON /ZSAVE / zrun(100),epolymer,Erun
COMMON /iori / iori
COMMON /NHB / nhb(100),nhbpoly,nhbcurr(100)
C
C move the chain so that the origin atom Norgn is at (0,0,0)
dx=atomdata(Norgn,1)
dy=atomdata(Norgn,2)
dz=atomdata(Norgn,3)
DO I=1,natom
atomdata(I,1)=atomdata(I,1)-dx
atomdata(I,2)=atomdata(I,2)-dy
atomdata(I,3)=atomdata(I,3)-dz
end do
C
Print *, ' '
Print *, ' Enter position (x,y,z) for origin of monomer'
Read *, xo, yo, zo
write(*,'(A10,3F8.3)')' input was', xo, yo, zo
Print *, ' '