Unrecognized atom_style:"edpd"

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1

Dear users,

Would anyone tell me what the keyword for using atomstyle “edpd” in moltemplate is for lammps input file production?

My style part of forcefiled.lt is as following:

  • unit lj
  • atom_style hybrid angle edpd
  • bond_style harmonic
  • angle_style harmonic
  • pair_style edpd 1 9872598

when I wanted to used moltemplate by the below commend line, it did not work by the error of "Unrecognized atom_style: “edpd”.

  • moltemplate.sh -atomstyle “hybrid angle edpd” system.lt

when I changed the style in my forcefiled.lt to “dpd”, Ii works and system.in file is produced.

Regards
Katerina

2

This a Q for Andrew (CCd). I doubt that mol template supports
every atom style LAMMPS has. But it probably doesn’t need
to, to generate a system topology.

Steve

3

Hi Steve,

I tried again, but it is not still working. I wanted to use dissipative particle dynamic simulation, with modified Verlet algorithms.

My “Data Atoms” is in the following format:(hybrid angle edpd

atom-ID atom-type x y z molecule-ID edpd_temp edpd_cv

4

Hi Steve,

I tried again, but it is not still working. I wanted to use dissipative particle dynamic simulation, with modified Verlet algorithms.

My “Data Atoms” is in the following format:(hybrid angle edpd

atom-ID atom-type x y z molecule-ID edpd_temp edpd_cv

Meanwhile, I checked for USER-MESO, an it is installed on my computer.

Installed YES: package USER-MESO

this only means, that you have copied the sources from the package folder to the source folder. did you also recompile LAMMPS and are using the updated LAMMPS executable?

the name of the edpd atom style should be listed when you run your LAMMPS executable with the -h flag.

Actually i can not you dpd style alone and i dont know how i can fix it.

pair style dpd is independent from USER-MESO.

Would you please guide me if there is any other method that i can produce data file for using DPD with MV algorithem.

there is not enough information here to give any specific suggestions. however, from your description it looks like you are not compiling or using LAMMPS correctly and according to the manual.

axel.

5

Hi Axel,
Thank you for reply.

6

you have an error with moltemplate, not LAMMPS.
moltemplate is a completely separate software. if moltemplate does not support atom_style edpd, then that is it and you cannot use it, or have to build the data file with a different atom style and then write a small script/program to augment the data file as needed.

most certainly, it has nothing to do with how you configure and compile LAMMPS.

axel.