vector do (vx=maxwell(300.)) ( all ) vector do (vy=maxwell(300.)) ( all ) vector do (vz=maxwell(300.)) ( all ) dynamics rigid nstep=1000 dt=0.001 group=( residue 1:6 ) group=( residue 7:19 ) group=( residue 20:22 ) group=( residue 23:30 ) dynmode=tcou tbath=298. nprint=25 ntrfrq=1 end