data frames attribute does not appear to work for all files. about pytng HOT 4 CLOSED

What's the corresponding gmx trjconv command that you used to generate the misbehaving trajectory?

Is this a problem with trjconv or with pytng?

from pytng.

I need to dig in further to both the Cython in PyTNG and the C++ in TNG itself to see where the error is being generated. IIRC the call used to get the number of frames (tng_util_num_frames_with_data_of_block_id_get) is not strictly part of the public TNG API, so may not work under all circumstances.

from pytng.

Alternately trjconv may not write the correct information. **it is also worth noting that this was done in the absences of a tpr file . ** this may possibly affect the final result and is worth checking.

from pytng.

this is because we were enforcing that the current step was mod 0 with the block stride

        if self.step % stride_length != 0:
            return TNG_CRITICAL

I will remove this requirement.

from pytng.