&MD ! This section defines the whole set of parameters needed perform an MD run. ???????? ??? ! Please specify the appropriete ensemble for you MD simulation ????? ?????? ! Please specify the number of MD steps to perform ???????? ??? ! Please specify the length of an integration step ??????????? ??? ! Please specify the temperature of the simulation &?????????? ! Please specify a thermostat section here &???? ! Please put here a section which specfies Nose-Hoover thermostat chain TIMECON 50 ! Timeconstant of the thermostat chain LENGTH 3 ! Length of the Nose-Hoover chain YOSHIDA 3 ! Order of the yoshida integretor used for the thermostat &??? &??? &END MD