Dear Axel Kohlmayer,
thanks for your response. I did what you suggest and it worked but just
for the first steps and then nothing, no output to screen or dump file.
This is my input file:
### Begin in.line file ###
# Aspherical shear demo - 2d line box and triangle mixture, implicit solvent
units lj
atom_style line
dimension 2
read_data data.line
velocity all create 1.44 320984 loop geom
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
neigh_modify exclude molecule all
pair_style line/lj 2.5
pair_coeff * * 1.0 1.0 1.0 0.25 2.5
fix 2 all rigid molecule langevin 2.0 2.0 1.0 492983
fix 3 all deform 1 x scale 0.3 y scale 0.3
fix 4 all enforce2d
compute 10 all property/atom end1x end1y end2x end2y
dump 1 all custom 500 dump1.atom id type x y z ix iy iz
dump 2 all custom 500 dump1.line id type &
c_10[1] c_10[2] c_10[3] c_10[4]
timestep 0.004
compute_modify thermo_temp extra -300
compute 1 all erotate/asphere
compute 2 all ke
compute 3 all pe
variable toteng equal (c_1+c_2+c_3)/atoms
thermo 1000
thermo_style custom step temp f_2 pe ke c_1 c_2 c_3 v_toteng
run 10000
undump 1
undump 2
unfix 3
change_box all triclinic
dump 1 all custom 500 dump2.atom id type x y z ix iy iz
dump 2 all custom 500 dump2.line id type &
c_10[1] c_10[2] c_10[3] c_10[4]
fix 3 all deform 1 xy erate 0.01 units box
run 100000
### end in.line file ###
### begin output ###
LAMMPS (14 May 2016)
Reading data file ...
orthogonal box = (-22.5539 -22.5539 -0.5) to (22.5539 22.5539 0.5)
2 by 2 by 1 MPI processor grid
reading atoms ...
350 atoms
350 lines
100 rigid bodies with 350 atoms
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 2.8
binsize = 1.4, bins = 33 33 1
Setting up Verlet run ...
Unit style : lj
Current step: 0
Time step : 0.004
Memory usage per processor = 6.55339 Mbytes
Step Temp 2 PotEng KinEng 1 2 3 toteng
0 1.3032188 1.1872976 0 0.46543528 0.03617212
0.46543528 0 0.5016074
1000 2.1150563 2.0869099 -0.021502615 0.75537724 0.11584395
0.75537724 -0.021502615 0.84971857
2000 2.2026534 2.1713073 -0.03859104 0.78666194 0.11991527
0.78666194 -0.03859104 0.86798617
### end output ###
Regards,
Tonalli