Hello everyone,
I am using the below tutorial to run an FEP simulation. I have one confusion about following its material. It has been mentioned in part 3.1. of the tutorial that the VMD plugin mutator can create all input files for FEP. However, while using this feature of the VMD, I am facing this error: unable to load structure file alch.fep.psf.
https://www.ks.uiuc.edu/Training/Tutorials/#fep
I believe that I should upload some hybrid topologies in advance but I can't locate them.
would you please someone help me out with using the VMD mutator --> generate free energy perturbation (FEP)files?