Closed chrisiacovella closed 4 years ago
I just added in a simple option to allow the user to pass a custom lipid selection to the code.
E.g., analyze -f trimmed_470.xtc -c confout.gro -o ao_chol1 -n 1 --reload --select='resname ffa24'
to just analyze ffa24
Changes made, but we still have the Python37 test failing.
I just added in a simple option to allow the user to pass a custom lipid selection to the code.
E.g., analyze -f trimmed_470.xtc -c confout.gro -o ao_chol1 -n 1 --reload --select='resname ffa24'
to just analyze ffa24