Is it possible to dump in-between timestep coordinates of atoms from a trajectory ?
say for eg.
i ve trajectory file which was dumped for every 10000 steps with thermo 1000
run 200000
using the log and trajecotry file, is it possible to dump coordinates for every 1000 steps using command like run 0 ( without running the MD from the initial config )
You cannot dump data that is not there.