error message with fix wall/lj126 command

I am getting the error fix wall/lj126 command. Even though I define the boundaries before the read_restart command, while reading the restart file, the boundaries are over-ridden to the the ones in the restart file, is there a way to resolve this? However, when convert the restart file to data file, it works just fine.

atom_style full

pair_style buck/coul/long 12.5

kspace_style pppm 0.0001

angle_style cosine/squared

bond_style harmonic

dihedral_style harmonic

improper_style cvff

#######Set the style of boundaries with x,and y as periodic and z non-periodic###########

boundary p p f

nope - once you've written restart files,
you can't change some things, like
periodic vs non-periodic boundaries. Same
as if you made 2 consecutive runs in
one input script. You can't "undo" periodic
BC inbetween them.

But you can convert your system to a data
file and re-define the boundaries in a new
script however you wish.

Steve

I am trying to figure out how to obtain a reax system from a previously
equilibrated dreading/x6 system. For example,...Here is part of my input
file? I need to somehow, create the final restart file from the dreiding/x6
and re-equilibraite using the reax potential. Any insight on how I can do
that

#Defining the different potential types
pair_style buck/coul/long 12.5
kspace_style pppm 0.0001
kspace_modify mesh 24 24 30 order 6
atom_style full
angle_style cosine/squared
bond_style harmonic
dihedral_style harmonic
improper_style cvff
#Data Reading and neighbouring information
neighbor 2.0 bin
neigh_modify every 2 delay 4 check yes page 100000000
read_data data.pur12100
pair_coeff 1 2

I am trying to figure out how to obtain a reax system from a previously
equilibrated dreading/x6 system. For example,...Here is part of my input
file? I need to somehow, create the final restart file from the dreiding/x6
and re-equilibraite using the reax potential. Any insight on how I can do
that

Use the restart2data tool to create a data file. That is about the
only option you have.

Axel

If all you want to do is restart from where an old
run stopped, but use a different potential, then
read the restart file and then specify new pair_style
commands. And run further.

Steve