Deposition of Molecules

I would like to deposit molecule on a slab using LAMMPS. Please let me know if it can be done using LAMMPS.

Thanks,
atashi

I would like to deposit molecule on a slab using LAMMPS. Please let me know
if it can be done using LAMMPS.

yes, it can be done, but there is no ready to use command for it.
the way i would address this is to set up a system in a way, where
those molecules are already present, but immobile and then over the
course of the simulation, add them to the/a group of molecules that
are moving and provide them with an initial push in the desired
direction and with the desired kinetic energy range. how to do that
all depends on what it is exactly that you are after and what you want
to learn from it etc.

axel.

I was thinking more in line with “fix deposit” command which is used to deposit atoms. I am interested in depositing molecules. I am planning to deposits hundreds of molecules. It would be great if I can do this automatically as we do it using deposit command.

I was thinking more in line with "fix deposit" command which is used to
deposit atoms. I am interested in depositing molecules. I am planning to
deposits hundreds of molecules. It would be great if I can do this
automatically as we do it using deposit command.

if you want it that much, you can program it. LAMMPS comes with the
full source code and nobody will stop you from adding useful features.

axel.

Thanks Axel. I was just checking if such a feature exists.

Can you please let me know how can I keep molecules immobile and add it to a group with mobile molecules the over time?

Thanks Axel. I was just checking if such a feature exists.

you have the manual and you read it. what you see is what you get.
that is what the manual is for.

Can you please let me know how can I keep molecules immobile and add it to a
group with mobile molecules the over time?

don't time integrate them and use the group command. you find details
for this in the manual as well. you just won't find a copy and paste
solution. you will have to assemble it yourself and take advantage of
LAMMPS scripting capabilities.

axel.

We’ve had some discussions about extending fix deposit
to work with molecules, but haven’t written the code
for it yet …

Steve