L20 is actually FK509 --------- Forwarded message ---------- From: Michael Shirts Date: 2009/7/23 Subject: Re: FKBP structures for Yank tests To: John Chodera Hi, John- Included are the starting pdbs for the ligand and ligand+protein that I used for my free energy calculations -- each have 20 structures that are the end states of previous simulations. I'm also including mol2 files I generated with babel -- there were a lot of errors when I generated them, so they may not be the most useful. Please let me know if there are any issues I need to address! Best, Michael