Lammps Replay Snippet

gistfile1.txt

#the 3 is the number of frames in the trajectory to replay
variable i loop 3

#the stride is the time between frames 
variable stride equal 1

#set-up run here, including reading data/restart file
...
...
...
...

#Paranoid. Rebuild neighbor list every step.
#Haven't figured out if read_dump forces a neighbor list rebuild.
neigh_modify delay 0 every 1

#now replay trajectory
label replay

#calculate the timestep
variable t equal "(v_i-1)*v_stride"

#read the file with read_dump
#Reading a dcd requires the USER-MOLFILE package to be compiled
read_dump traj.dcd $t x y z format molfile box yes reader dcd

#Using XYZ reader instead
#NOTE: If you use xyz instead, set stride to 1 since lammps doesn't read the timestep
#read_dump traj.xyz $t x y z box no format xyz

#set the timestep
reset_timestep $t

#calculate forces
run 0

#next frame
next i
jump SELF replay