# Parameters for random acceleration molecular dynamics simulation
 &cntrl
 <Here classical MD setup>
 &end
 &rexp                       ! values are only ilustrative
   rexpmode = 1,             ! 0 - RAMD disabled, 1 - RAMD enabled
   rexpupdate = 10,          ! RAMD force can be updated only at each rexpupdate step  (equivalent to nfwao)
   rexpdebug = 0,            ! 0 - no debug, > 0 debug REXP, each process has own debug file rexp_debug.nodeXX where XX is number of process
   acceleration = 0.05,      ! magnitude of ligand centre of mass acceleration in kcal/(g*A); if mass has g/mol unit, it is equivalent to forwal
   threshold = 0.01,         ! distance that ligand has to travel during rexpupdate; if not then new direction vector is generated (equi to thresh)
   lstart = 10,              ! first atom of ligand
   lstop = 20,               ! last atom of ligand
   rstart = 1,               ! first atom of receptor
   rstop = 9,                ! last atom of receptor; if zero, receptor is not defined
   maxtravel = 1.0,          ! maximum distance between centre of mass of ligand and receptor
   irexpseed = 14253,        ! seed for random direction vector generator
   ikwid = 0,                ! I Know What I Do (1 - disable checking of conflicts with methods that can influence RAMD)
 &end
