Hello community,
I was trying to save the average coordinates of atoms in a dump file, using the ave/time fix.
Below is a code example, I would expect that the average quantities were produced at step 1000, but I keep getting "ERROR: Dump custom and fix not computed at compatible times".
What's wrong?
Thank you in advance
Roberto
units metal
dimension 3
boundary p p p
timestep 1e-3
neighbor 2.0 bin
neigh_modify every 1 delay 10 check yes
region simbox block 0 10 0 10 0 10 units box
create_box 1 simbox
mass 1 10
create_atoms 1 single 0 0 0
create_atoms 1 single 3 3 3
create_atoms 1 single 6 6 6
pair_style lj/cut 10.0
pair_coeff * * 0.1 2.0
fix lan all langevin 300 300 1.0 4567
fix nve all nve
fix ave all ave/atom 1 1000 1000 x y z
run 1000
write_dump all custom dump.dump id type f_ave[1] f_ave[2] f_ave[3]