Hi everyone,
I want to understand DPD in ESPResSo a little better. If I wanted to obtain a diffusion coefficient for one colloid (say for a protein) in a liquid on the order of 10^-7 what knobs would I turn? Is this possible? Since DPD imposes friction on DIFFERENCES in velocities for particles within the cut off radius, am I correct in thinking you need a relatively crowded system to obtain that damping? For T = 1.0 and volume fraction < 0.15 I am seeing diffusivity values higher than gas particles.
p.s. You may recall I am working with lattice Boltzmann to get hydrodynamics. As such I am only looking for understanding.
inter 1 1 lennard-jones 1.0 0.30 0.33673 0.25 0
setmd time_step 0.001
setmd skin 0.4
thermostat dpd 1.0 1.0 0.16837
etc...
Best Regards,