Rakesh Mishra wrote:
Dear GMX Users
I recently ran a 1ns simulation and got a trajectory file which I
extended for further runs using tpbconv. The subsequent runs went fine.
However now when I try to concatenate the files it gives me an error
message saying :
frames around 159 ps had a different spacin than rest . could be gaps
or overlaps that could not be corrected automatically
It then proceeds to cocatenate theremaining files into a single xtc file
Is there any way that I can reclaim the data?
It sounds like something broke back around 159ps. Have a look at the log
file around that timestep. Also, please report the command line you gave
to trjcat, since in general, it's possible your problem is there.
Mark
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