please keep the mailing list in copy of your messages.
My problem is that, for the translocation process, as you said,
it is pointless to get an exact translocation time for a single run,
so I need to run the simulation eg. 1000 times, each time I record the
translocation time,
then I get a histogram on that. If I do post-processing, which means I need
to store data for
1000 runs, which might take a huge space.
no it won't, if you had paid attention to what i had written earlier.
there is no need to write out the entire system. depending on the
relative sizes, you would only need to record the trajectories of a
few relevant atoms and not even at every step. and then the size issue
is not an issue at all.
axel.