Page 379 - Handbook Of Multiphase Flow Assurance

378 10. Research methods in flow assurance

CALL RUNLEN
C ... acceptance ratios for translation, rotation, pivot
Acctrn = 0.25D0
Accrot = 0.125D0
Accpiv = 0.25D0
Kacct = 0
Kaccr = 0
Kaccp = 0
C hydrogen bonds counters
do i=1,nbackbone
nhb(i)=0
end do
C ... maximum step sizes (Angstroms and degrees to radians)
Deltrn = 1.0D0
Delrot = 12.D0*PI/180.D0
Delpiv = 12.d0*pi/180.d0
C
C ... Coulomb unit conversion
Co =332.0637D0
C
C ... top cell boundary (not for periodic boundaries _ Xmaxh)
Bmax =15.D0
CC
CC ... shell thickness for g(z) & max elevation to sample
cCRdel = 0.1D0
cCGmax = 10.D0
CC
RETURN
END
C
C-------------------------------------------------------------------
C
SUBROUTINE RUNLEN
IMPLICIT REAL*8(A-H,O-Z)
real*4 ra,randseed
COMMON /CRASH / ncrash, ncalls
COMMON /rans / randseed
COMMON /NRUN / Ncycle,Ndead,Kprint,Kdprnt,Kcyc,Neq
C
C ... Number of dead cycles & run cycles
Print *, ' '
print *,'Is it a crash recovery? (No- 0, Yes- #of random calls)'
read *, ncrash
print *,'input was', ncrash
ncalls=0