98
6 Ratchet Dimer Brownian Motor with Hydrodynamic Interactions
Fo = 4.
do 100 step = 1, nstep
t = step*DT
c ** define first position for calculating transl. diffusion **
c ** and rotation rate **
call force ( consii, consij, v, r, t)
c ** calculate the correlated normal variates **
call covar ( dt )
c ** move the atoms **
call move ( dt )
c ** calculate instantaneous values for previous step **
vn = v / real ( n )
rcx = (rx(1)+rx(2))*0.5
rcy = (ry(1)+ry(2))*0.5
rcz = (rz(1)+rz(2))*0.5
rc = sqrt(rcx**2 + rcx**2 + rcx**2)
rx21 = rx(2)-rx(1)
ry21 = ry(2)-ry(1)
rz21 = rz(2)-rz(1)
r21sq = rx21*rx21 + ry21*ry21 + rz21*rz21
r21 = sqrt(r21sq)
acdn = (rcx-rcx0)*(rcx-rcx0)+(rcy-rcy0)*(rcy-rcy0)+
* (rcz-rcz0)*(rcz-rcz0)
acdnx= (rcx-rcx0)*(rcx-rcx0)
acrotn = (rx21*rx210 + ry21*ry210 + rz21*rz210)/
* r21/r210
acv = acv + vn
acvsq = acvsq + vn * vn
acr = acr + r
acrsq = acrsq + r * r
acdiff = acdiff + acdn
acdiffx = acdiffx + acdnx
acrot = acrot + acrotn
cos1 = acrot/step
vcx =(rcx - rcx0) /dt
sumvcx = sumvcx + vcx
mvcx=sumvcx/step
sumvcx2 = sumvcx2 + (vcx**2)
mvcx2 = sumvcx2/step
vcy =(rcy - rcy0) /dt
sumvcy = sumvcy + vcy
mvcy=sumvcy/step
vcz =(rcz - rcz0) /dt
sumvcz = sumvcz + vcz
mvcz=sumvcz/step