How to add molecules they will evenly distributed in that area

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1

Hello Folks,

I made a simulation box inside it & then I created a slab of material. I
removed the some atoms from right and left ends so in that void I will add
the molecules.
.....|||||||.....
.....|||||||..... << I want to add the molecules here (...)place
.....|||||||..... which will be evenly distributed.
.....|||||||..... {|||} This one was slab of material

Can any one help me??
Also I have a questions is there any need to add pair potentials?

Regards,
Abhijeet Dhakane
Center for Modelling and Simulation

2

Hello Folks,

I made a simulation box inside it & then I created a slab of material. I
removed the some atoms from right and left ends so in that void I will add
the molecules.
.....|||||||.....
.....|||||||..... << I want to add the molecules here (...)place
.....|||||||..... which will be evenly distributed.
.....|||||||..... {|||} This one was slab of material

Can any one help me??

if you use the create_atoms command with a lattice using the molecule
option, you will get an _extremely_ regular distribution of molecules.

Also I have a questions is there any need to add pair potentials?

i don't understand the question. what is the point of doing an MD
simulations, if particles don't interact?

don't you have somebody around to train you in MD? didn't you read any
text books on MD?

axel.