The simulation failed with the following error:
invalid syntax (, line 36)
Details:
Traceback (most recent call last): File "C:\Users\CCL\anaconda3\Lib\site-packages\openmmsetup\openmmsetup.py", line 388, in simulate exec(script, {"output":output, "outputDir":outputDir}) File "", line 36 barostatInterval = ^ SyntaxError: invalid syntax
I keep changing some of the parameter but nothing is working, is it possible its missing a file for it to run?