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Description
Description
check_promise does not properly add the trajectories. The paths to the trajectories are appended to gromos_system by the analysis script of the simulation, but the data is not imported.
Code Example
groSys = GromosSystem(......) # create a GromosSystem
groSys.md(....) # submit some MD simulations that produce trajectories
# wait for simulations to be done on cluster (and checked that they worked properly)
groSys._check_promises() # should add trajectories`
groSys.tre.density() # will throw error due to empty DataFrame
Bug?
Problems with trajectories or with future file or check_promise?
Help is welcomed
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bugSomething isn't workingSomething isn't workinghelp wantedExtra attention is neededExtra attention is needed