22,23d21
<       common / analyze6 / reac, scav, escp, DNAe, DNAo, DNAc
<       common / analyze7 / iflge, iflgo, iflgc
33,39c31
<       id  = 2   
< 
< * (radical scavenging on/off = 1/0)
<       ird = 0   
< 
< * (geometry on/off = 1/0)
<       igd = 1
---
>       id = 4   
43,44c35,36
<       ntrack    =  50                
<       itime     =  1000000       !   100 (ns)
---
>       ntrack    =  100000           
>       itime     =  100000         !   1 (us)
48c40
<       t0        =    1.d-12       !   1 (ps)
---
>       t0        =  300.d-15       ! 300 (fs)
74c66
<                 goto 1001
---
>                 goto 1000
81,103d72
<           if( ird .eq. 1 )then
<           call scavenging( it )
<               if( iflg .eq. 2 ) goto 1001
<           endif
< 
< 
<           if( igd .eq. 1 )then
<           call geometry( it )
<               if( iflge .eq. 1 .and. iflgo .eq. 0 ) then
<                   iflg = 3
<                   goto 1002
<               endif
<               if( iflge .eq. 0 .and. iflgo .eq. 1 ) then
<                   iflg = 4
<                   goto 1002
<               endif
<               if( iflge .eq. 1 .and. iflgo .eq. 1 ) then
<                   iflg = 5 
<                   goto 1001
<               endif
<           endif
<  1002   continue
< 
119,136d87
< 
< 
<  1001   continue
<         if(     iflg .eq. 0 ) then
<           escp = escp + 1.d0 / dble(ntrack)
<         elseif( iflg .eq. 1 ) then
<           reac = reac + 1.d0 / dble(ntrack)
<         elseif( iflg .eq. 2 ) then
<           scav = scav + 1.d0 / dble(ntrack)
<         elseif( iflg .eq. 3 ) then
<           DNAe = DNAe + 1.d0 / dble(ntrack)
<         elseif( iflg .eq. 4 ) then
<           DNAo = DNAo + 1.d0 / dble(ntrack)
<         elseif( iflg .eq. 5 ) then
<           DNAc = DNAc + 1.d0 / dble(ntrack)
<         endif
< 
< 
147,294d97
<       subroutine geometry( it )
< c===============================================
<       implicit real*8(a-h,o-z)
< 
<       include 'param.inc'
< 
<       common / main1 / x(nox), y(nox), z(nox), is(nox), ic(nox), id
<       common / main2 / dif1(nox), dif2(nox)
<       common / main3 / dx(3,3), dy(3,3), dz(3,3), dr(3,3)
< 
<       common / analyze1 / xdis(-nrg:nrg), xps(3,10,-nrg:nrg), nxpnt
<       common / analyze2 / itime, ntime, dt, t0, ntrack
<       common / analyze3 / prb(3,nit)
<       common / analyze4 / reacd1(3), reacp1(3), ipflg(3), iflg
<       common / analyze5 / rdis(0:nrg), rps(3,10,0:nrg), irpoint
<       common / analyze7 / iflge, iflgo, iflgc
< 
<       common / randam / idum
< 
<       real ran2
< 
< 
< c===================================================
< c      rate = 1.9d+8   ! H + AMP (Buxton,p649)
< c      rate = 2.9d+8   ! H + TMP (Buxton,p673)
< c===================================================
< 
< 
< c===================================================
< c      rate = 3.8d+9   ! e + AMP (Buxton,p574)
< c      rate = 6.8d+9   ! e + CMP (Buxton,p591) 
< c      rate = 1.5d+9   ! e + GMP (Buxton,p606)
< c      rate = 1.5d+9   ! e + TMP (Buxton,p631)
< c      rate = 1.36d+10 ! e + total
< c      rate = 2.1d+10  ! 5-Bromouracil (Buxton,p584)
< c===================================================
< 
< 
< 
<       rdna = dsqrt( x(1)**2 + y(1)**2 ) / xnm
<       dna1 =  1.7d0 * xnm 
<       dna2 = -1.7d0 * xnm 
< 
<       rate = 1.36d+10                    ! e + total 
<       dens = 6.04d-2                     ! 10bp (mol/L) 
<       prbs = dexp( -dens * rate * dt )   ! from 0 to 1
<       rans = dble(ran2(idum))
< 
<      
<       if( iflge .eq. 1 ) goto 100 
<       if( rdna .le. 1.d0 .and. 
<      .    z(1) .le. dna1 .and. 
<      .    z(1) .ge. dna2 .and. 
<      .    rans .gt. prbs ) then
<         do i = 1, 1
<           do nt = it, itime
<             prb(i,nt) = prb(i,nt) - 1.d0 / dble(ntrack)
<             if(prb(i,nt) .lt. 0.d0 ) then
<                prb(i,nt) = 0.d0
<             endif
<           enddo
<         enddo
<         iflge = 1
<       endif
<   100 continue
< 
< 
< 
< c===============================================
< c      rate = 4.1d+9   ! OH + AMP (Buxton,p631)
< c      rate = 4.7d+9   ! OH + CMP (Buxton,p710)
< c      rate = 4.7d+9   ! OH + GMP (Buxton,p727)
< c      rate = 5.2d+9   ! OH + TMP (Buxton,p754)
< c      rate = 1.87d+10 ! OH + total
< c===============================================
< 
< 
<       rate = 1.87d+10                    ! total
<       dens = 6.04d-2                     ! 10bp (mol/L)
<       prbs = dexp( -dens * rate * dt )   ! from 0 to 1
<       rans = dble(ran2(idum))
< 
< 
<       if( iflgo .eq. 1 ) goto 200
<       if( rdna .le. 1.d0 .and.
<      .    z(2) .le. dna1 .and.
<      .    z(2) .ge. dna2 .and.
<      .    rans .gt. prbs ) then
<         do i = 2, 2
<           do nt = it, itime
<             prb(i,nt) = prb(i,nt) - 1.d0 / dble(ntrack)
<             if(prb(i,nt) .lt. 0.d0 ) then
<                prb(i,nt) = 0.d0
<             endif
<           enddo
<         enddo
<         iflgo = 1
<       endif
<   200 continue
< 
< 
<       end
< 
< c================================================
<       subroutine scavenging( it )
< c===============================================
<       implicit real*8(a-h,o-z)
< 
<       include 'param.inc'
< 
<       common / main1 / x(nox), y(nox), z(nox), is(nox), ic(nox), id
<       common / main2 / dif1(nox), dif2(nox)
<       common / main3 / dx(3,3), dy(3,3), dz(3,3), dr(3,3)
< 
<       common / analyze1 / xdis(-nrg:nrg), xps(3,10,-nrg:nrg), nxpnt
<       common / analyze2 / itime, ntime, dt, t0, ntrack
<       common / analyze3 / prb(3,nit)
<       common / analyze4 / reacd1(3), reacp1(3), ipflg(3), iflg
<       common / analyze5 / rdis(0:nrg), rps(3,10,0:nrg), irpoint
< 
<       common / randam / idum
< 
<       real ran2
< 
< 
<       rate = 2.1d+10
<       dens = 1.d-3
<       prbs = dexp( -dens * rate * dt )
<       rans = dble(ran2(idum))
< 
< 
<       if( rans .gt. prbs ) then
<         do i = 1, 1
<           do nt = it, itime
<             prb(i,nt) = prb(i,nt) - 1.d0 / dble(ntrack)
<             if(prb(i,nt) .lt. 0.d0 ) then
<                prb(i,nt) = 0.d0
<             endif
<           enddo
<         enddo
<         iflg = 2
<       endif
< 
< 
<       end
< 
< 
< c================================================
