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[ESPResSo-users] DPD interaction

From: Vincent Ustach
Subject: [ESPResSo-users] DPD interaction
Date: Tue, 19 Nov 2013 11:02:18 -0800

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


Best Regards,

--Vincent Ustach

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