Hi all ,
I have some problem with temperature of the system . I have 2 types of particles in the system… And I am doing DPD simulations
When I use atom_style dpd and I put my temperature to 1 . I get correct temperature . And when I switch of dpd that and put only bonds my system temperature is ok. Since atom_style dpd doesn’t support bond ,I put
atom_style hybrid bond dpd
When I try with harmonic strength k =0 I should get temperature as i get for normal dpd (I mean without bond).
But I get very high temp. That means something is wrong in hybrid things .I don’t understand what the problem is
I use nve integrator
My Input script is
atom_style hybrid dpd
read_data data.micelle
velocity all create 1 343333 mom yes dist
pair_style dpd 1 1 9999
pair_coeff 1 1 25 4.5 1
pair_coeff 2 2 25 4.5 1
pair_coeff 1 2 200 4.5 1
bond_style harmonic
bond_coeff 1 0 .75
neighbor .5 bin
neigh_modify 1 delay 20
fix 1 all nve
Can any body help me
Prathyusha K.R.
Graduate Research Student ,
Dept.of Physics ,
IIT Madras,
Chennai ,
India.