PDBfile from equilibrated system for following simulations,

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Dear All users,

I have performed an NVT simulation. My system have been equilibrated and now I want to use the

equilibrated system for another simulation. I have extracted a pdb file from VMD and final frame but

I realized that some molecules are located out of my box and it is not good for following run.

I have saved wrapped and unwrapped trajectories but I could not get a right pdb file which is

restricted by initial boundaries. Is it possible to get that? Is there any post processing?

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You might want to use “restart”/“read_restart” or “write_data”/“read_data” commands for handling i/o between separate lammps simulations.

Arthur