Hi Everyone, I want to use LJ interaction cutoff at 12 Å and treat LJ smoothly between 10 and 12 Å. Does the following in .mdp file reflect the same? rvdw-switch = 0.2 rvdw = 1 Kindly Reply. Thanks a lot. -- Tushar Ranjan Moharana B. Tech, NIT Warangal Ph D Student, CCMB