[lammps-users] dump command in DPD simulation

lammps users:

Hi, every lammps users!

I’m doing DPD simulation.

Nowadays, I have met some confused things on dump command.

I compiled lammps with all packages (lammps-7Jul09, ubuntu 8.04, mpich–8) .

My example is di-block polymers, A5B5, 101010, 300 molecules, 3000 atoms.

My in script is as follows:




If you are asking why the dump files for dump "all" and dump "polymer"
are the same, then what was the output of this command:

group polymer type 1 2

Did it say the new group contained all atoms or only some of them?


Hi, Zhou Tao

My question is actually not concerned about your problem.
I would like to know these lines in your input script:

pair_coeff 1 1 25.0 4.5

pair_coeff 1 2 80.0 4.5

pair_coeff 2 2 25.0 4.5

does not in consist with the settings in Groot and Madden’s [J. Chem. Phys.,108,8713,(1998)] paper.
In their paper, the spring force is set as:
while in your script it is:
this may considerably affect the results obtained~

I wonder is there any bond style in lammps is in the first form?
if not, how can I get this bond style work, write my own bond style?