Ligand FEP and Zephyr in the future

[Soumya Ray]

First of all, Zephyr is a very nice interface to carry out simple MD simulations. I was wondering if a ligand mutation FEP interface will eventually be developed for Zephyr.
This would be high value. Most FEP methods either have an easy to use interface like Desmond/Maestro but can't use CUDA or others can use CUDA like NAMD but real pain to setup.
Any thought?

[Peter Eastman]

We don't currently have any plans to add FEP to Zephyr, but go ahead and enter it in the feature request tracker:

https://simtk.org/tracker/?atid=814&gro ... unc=browse

Peter