Simulation failed.

[bowensha-tudelft]

I ran the example "pAPRika tutorial 2 - Explicit Solvent". During minimization in window a000, it gives error below.

I do not know where I can read "logging". Thus I decided to cd to a000, and ran AMBER directly there. It worked successfully. So I guess the input files were correctly generated but maybe something else went wrong?

[bowensha-tudelft]

Here is the result of running AMBER directly. I think it is normally terminiated.

[jset231]

@bowensha-tudelft I suspect this is either because the executable pmemd.MPI is not found in the PATH or because I've updated some of the API in the Simulation class but haven't updated the tutorials accordingly.