[lammps-users] simulating molecules

hi Lammps_users

i am a beginner to Lammps. i am trying to model water flow in channels. can you please tell me how to give initial position and velocities for water molecules?

thanking you in advance


Dear Safron

you can use Packmol (or VMD) software for this purpose. it gives for you initial position of molecules, then you can use velocity command for assign velocity.


The coords and the topology of the water molecules needs
to be input to LAMMPS in the data file via the read_data command.
The tools Yasti mentions can be used to help create the data file.