Difference between revisions of "Points"
(Created page with "The <code>points</code> keyword is a '''required''' keyword in the <code>input</code> file. It takes 1 argument, the number of MD snapshots to be read from the trajector...")
Revision as of 13:55, 20 July 2017
points = 20000
points needs to be consistent with
tau, in such a way that the time step is given by
points. Note that
points can be smaller or equal to the total number of snapshots in the trajectory file. If it is smaller, the first
points snapshots will be read in, and the rest will be ignored. This is useful for testing purposes, where one can quickly read and analyze only part of the trajectory file. Note that you still need to adjust
tau so that the time step remains correct.