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 p
Tsjerk and Justin thanks for your suggestions.
Justin, the combination you suggested did not work, I tried many things
without succes here.
I got the following error using whole and mol. (after doing nojump)
There were 8 inconsistent shifts. Check your topology
There were 8 inconsistent shifts.
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