I’ve tried to set a large dump step and it works.
Hi - I was curious if there was a way to produce a dump file containing only
the final configuration of a minimization or standard run (or at most the
initial and final states). If so - how would this need to be done?
not sure if there is a direct way, but you might be
able to fake it by doing a regular run without any
output and then open the dump and do a run for 1 MD
step in the same script to get your final config (as the first).