calculation stopped due to software error

[Ketan Rohilla]

Hello Sir,

I am doing a protein-ligand binding energy calculation using the MMPBSA method, but unfortunately due to a software connection problem, the calculation stopped. How can I start the calculation from the same point? 

Also, I have performed a 50 ns MD run for my system by taking frames at every 1 ps which means it has 50000 frames. The binding energy calculation is taking too much time to proceed further. It has been a week but it is still showing: 

[INFO] Cleaning normal complex trajectories...

How can I make my calculation faster, either by skipping some frames or something else?

[Mario Sergio Valdes]

This bug was fixed in version v1.5.5. You can update from Github to check calculation progress  through the progress bar implemented recently 

python -m pip install git+https://github.com/Valdes-Tresanco-MS/gmx_MMPBSA.git -U