Fix langevin is a thermostat. If you thermostat atoms differently
(or incorrectly) you alter their dynamics.
Steve
2011/4/6 XiaoJing <[email protected]...>:
Fix langevin is a thermostat. If you thermostat atoms differently
(or incorrectly) you alter their dynamics.
Steve
2011/4/6 XiaoJing <[email protected]...>: