Hi,
I imagine that at least one of the trajectories did not have a good PCA
analysis because you probably want both trajectories such that molecules
are whole with respect to PBC. The frame from the second trajectory is not.
There's a useful workflow at
Hi all,
I have two pdb files extracted from two trajectories of same compound but
starting from two different configurations. I wanted to combined the two
trajectories but I faced a broken structures behaviour while combining the
two ensembles. I just attached two first frames of each
Hi all,
I have two pdb files extracted from two trajectories of same compound but
starting from two different configurations. I wanted to combined the two
trajectories but I faced a broken structures behaviour while combining the
two ensembles. I just attached two first frames of each