execution issue

[debanjansen48]

I downloaded it from
https://github.com/avimanyu786/TrajectoryMergeAssist/releases/download/v2.1/tma_v2.1-setup.sh

after installation call it from working folder by issuing command "tma"
working folder contain out.cms file and trajectories

but encountered by following error

Merging both trajectories into one and generating -out.cms...

Traceback (most recent call last):
File "/home/debanjan/Desmond/internal/bin/trj_merge.py", line 120, in
main()
File "/home/debanjan/Desmond/internal/bin/trj_merge.py", line 93, in main
tr = traj.read_traj(f)
File "/home/debanjan/Desmond/internal/lib/python3.6/site-packages/schrodinger/application/desmond/packages/traj.py", line 589, in read_traj
fmt = get_fmt(inp, format)
File "/home/debanjan/Desmond/internal/lib/python3.6/site-packages/schrodinger/application/desmond/packages/traj.py", line 89, in get_fmt
raise ValueError("Unrecognized trajectory format: %s" % extname)
ValueError: Unrecognized trajectory format: -mrj
mv: cannot stat 'NewMergedTrajectory.cms': No such file or directory
Error! New Merged Trajectory not created! Please contact author.

[avimanyu786]

Hello @debanjansen48,

Sorry about the delayed response. For some odd reason, I did not receive the notification. You seem to be using the Python 2 version of TMA. Please use the tma-py3 command instead of tma. Python 2 is no longer supported since January 1 2020.

The trajectory directories' names that you are providing seem to be ending with -mrj while it expects _trj. The ValueError is therefore being reported by the backend Desmond script as an unrecognised trajectory format.

[AbelJ06-06]

I also had a similar issue

Traceback (most recent call last):
File "/opt/schrodinger2022-1/internal/bin/trj_merge.py", line 120, in
main()
File "/opt/schrodinger2022-1/internal/bin/trj_merge.py", line 93, in main
tr = traj.read_traj(f)
File "/opt/schrodinger2022-1/internal/lib/python3.8/site-packages/schrodinger/application/desmond/packages/traj.py", line 701, in read_traj
source = DtrSource(molfile.dtr.read(inp), name=inp)
RuntimeError: open_file_read failed
mv: cannot stat 'NewMergedTrajectory.cms': No such file or directory
Error! New Merged Trajectory not created! Please contact author.