timestep 1. numsteps 250 stepspercycle 1 cwd /Home/l2/marriott/lab/exercises/5/small COMmotion NO coordinates ./room.coor velocities ./room.vel structure ./sphere10.psf parameters ./water+ions.par seed 234890 exclude 1-4 # 1-4scaling 0.4 cutoff 6.5 ## 3.1 * 2 + 1 ## margin 150.0 switching on switchdist 4 pairlistdist 10.0 plMarginCheck TRUE # fma on FullDirect on sphericalBC on sphericalBCcenter 0,0,0 sphericalBCr1 21 sphericalBCk1 1.0 sphericalBCexp1 2 outputname /tmp/output MTSAlgorithm VERLETI longsplitting c1