Perturbation part of https://training.ccpbiosim.ac.uk/fesetup-workshop/ not working for me

[waydeveldman]

Good day! I hope you're well.

Everything worked for me, up until the perturbations when I run morph.in. PLEASE HELP! I am getting the following, in the terminal and leap.log file:

Terminal: Making biomolecule 181L... Morphs will be generated for Sire Morphing benzene to o-xylene... ERROR: benzeneo-xylene failed: Leap did not create the topology and/or coordinate file(s): vacuum.parm7, vacuum.rst7 Morphing o-xylene to benzene... Creating complex 181L:benzene with ligand morph benzeneo-xylene... AttributeError: 'NoneType' object has no attribute 'edit'

leap.log:

s = combine {cmp0}
Sequence: LIG
saveAmberParm s "state0.parm7" "state0.rst7"
Checking Unit.
Building topology.
Building atom parameters.
For atom: .R<LIG 1>.A<DU13 13> Could not find vdW (or other) parameters for type: du
For atom: .R<LIG 1>.A<DU14 14> Could not find vdW (or other) parameters for type: du
For atom: .R<LIG 1>.A<DU15 15> Could not find vdW (or other) parameters for type: du
For atom: .R<LIG 1>.A<DU16 16> Could not find vdW (or other) parameters for type: du
For atom: .R<LIG 1>.A<DU17 17> Could not find vdW (or other) parameters for type: du
For atom: .R<LIG 1>.A<DU18 18> Could not find vdW (or other) parameters for type: du
Parameter file was not saved.
savepdb s "state0.pdb"
Writing pdb file: state0.pdb
quit
Quit

[skfegan]

This is a copy of the issue in the workshop repository.