Deposit molecules

Dear all,

I am wondering whether Lammps can deposit molecules like water to form thin films. It seems that fix deposit command only support single atom deposit. If it does not support, how to build a C++ file to deposit molecules. Whether I can realize this function simply by modifying the fix_deposit.cpp file and which part is that we should pay more attention to.


Depositing molecules is nontrivial. This has been discussed in the past. Please see the mailing list archives. Axel.

Thank you Alex. I am wondering whether you mean this one

However, it seems depositing molecules is trivial. Do you know any other simple way.


This capability is not in the current version of LAMMPS. You're
welcome to modify fix_deposit.cpp to do this, and submit the
code. We'd be happy to release it.