[lammps-users] O Molecule depostion in Lammps

Dear steve:

I want to do the simulation to deposit oxygen molecules on metal surface. I know there is a “fix deposit” command in lammps.However ,it only deals with atoms. You have said that we need to creat all its topology etc.It’s a non-trivial work.

But I think the molecules in my work are simple Oxygen molecules. I wonder if I could do little work to achieve it and which files I shoule modify. Just fix_deposit.h and fix_deposit.cpp?I’ll be very thankful if you can help me with this problem. Have a good day!

Look forward to hearing from you soon.Thanks.

Beat wishes!

Wang XinHai

Just modify the fix_deposit files.


2010/1/20 <[email protected]...>: