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Description
Hi
I have been trying to run PENSA on my trajectories from AMBER. I generated the .psf file using parmed and used my own .incprd and .prmtop but whenever I try to run extract_coordinates.py, I am getting the following error message:
Traceback (most recent call last):
File "/media/mauricio/Expansion/POT1/pensa_pot_test/work/../../AF/a/pensa/scripts/extract_coordinates.py", line 29, in
extract_coordinates(args.ref_file, args.pdb_file, args.trj_file,
File "/media/mauricio/Expansion/POT1/AF/a/pensa/pensa/preprocessing/coordinates.py", line 44, in extract_coordinates
selection.write(out_name + '.prmtop')
File "/home/mauricio/.conda/envs/pensa/lib/python3.10/site-packages/MDAnalysis/core/groups.py", line 3756, in write
raise ValueError("No writer found for format: {}".format(filename))
ValueError: No writer found for format: traj/D51N_POT1.prmtop
I would like to know how I could make PENSA work using NetCDF coordinates.