For a given temperature, I will make them continues again then before
analysis.
Thanks for the help!
kind regards,
servaas
Hoi Servaas,
Was that the trajectory for a given temperature, or for a given
system? It should be for the latter, as otherwise, there will be weird
shifts introduced. A trajectory for a given system, over the different
conditions should be (from the PBC point of view) continuous and it
should be possible to perform PBC related operations.
Hope it helps,
Tsjerk
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