Open varun-go opened 7 months ago
This ought to work correctly if you have the latest versions of PLUMED and OpenMM-PLUMED. Here's the code where it reads the input file:
That's the reference platform version. There's similar code for the other platforms. If it's a sufficiently recent version of PLUMED, it calls readInputLines
which supports continuations. Otherwise it has to read lines one at a time with readInputLine
, which doesn't.
Can you compile OpenMM-PLUMED from source and have it print out the value of apiVersion
?
Thank you for the response. I am currently resolving some issues compiling OpenMM-PLUMED from source, so I will check this as soon as it is fixed. However, I tried searching for the cpp file in the conda environment that has OpenMM-PLUMED, and I could not find it.
I don't think conda installs the source code, just the compiled library.
Openmm-plumed version (via conda forge): 1.0 Plumed version (built from source): 2.9.0
Plumed installed via conda was removed as per issue #66, as I needed to build plumed with the annfunc module.
I have an implementation question regarding continuation lines. I have a string for the plumed script, which contains continuation lines. However, when I pass this string as an argument to PlumedForce, I get the same error pointed out in issue #19. Is there an issue with my implementation? Thank you.
I have not displayed some sections of the script for brevity.
The error I receive is:
In the ouput, the error message is repeated after every instance where line continuation was used.
Originally posted by @varun-go in https://github.com/openmm/openmm-plumed/issues/27#issuecomment-1806148709