about read_date and lattice command

Dear lammps community,
now i have met a troble that: i want to simulate the tribology of carbon films. For doing that, there are two steps.
first is to use an in.script to deposite carbon film, and second is to use another in.script file to simulate the tribology. In the second in.script file, i want to use the read_data command to guide the deposited carbon film (results from the first step) into. and use the lattice and region commonds to build the diamond tip. Can i do so? i would be appreciate you if you could give me a example of in.script ? Somebody said that: in the simulation of Lammps, the initial configuration is built either using the Lammps itself or using the read_data command to guild into. Namely, the commands of read_data and lattice, region can;t be used mixed.

2011/8/17 黄德明 <[email protected]>:

Dear lammps community,
now i have met a troble that: i want to simulate the tribology
of carbon films. For doing that, there are two steps.
first is to use an in.script to deposite carbon film, and second is to use
another in.script file to simulate the tribology. In the second in.script
file, i want to use the read_data command to guide the deposited carbon film
(results from the first step) into. and use the lattice and region commonds
to build the diamond tip. Can i do so? i would be appreciate you if

yes, you can.

you could give me a example of in.script ? Somebody said that: in the
simulation of Lammps, the initial configuration is built either using the
Lammps itself or using the read_data command to guild into. Namely, the
commands of read_data and lattice, region can;t be used mixed.

this is incorrect information. you can create atoms and
regions and use the lattice command all the time.
the only issue is that information like the total system
cell, the total number of atom, bond, angle, etc. types
can only be set once. so you have to take than into
account. the only time when people have problems is
when they mindlessly cut and paste from example
input files without thinking or checking with the manual.

i suggest you build input files for both pieces
exactly as you want them, do this in steps
and then pick the input with the read_data file,
and make the adjustments as needed to include
the commands from the other input.

the really important part is to do it in small steps,
so you know exactly when something goes wrong.

axel.