-first of all, there is the time scale problem inherent to md in general.
-to minimize the integration error, the time step must be chosen smaller
-than the reciprocal of the fastes vibrational mode.
-several local minima exist, which are separated by large energy barriers.
-due to the low probability for escaping such a local minimum,
-a transition event correpsonds to a multiple of vibrational periods.
-a phase transition, in turn, consists of many such infrequent transition events.
-new accelerated methods, like temperature accelerated MD and so on,
-have been developed to bypass the time scale problem while retaining proper
-thermodynamic sampling.
-
-in addition, the overestimated diffusion barriers,
+first of all, there is the time scale problem inherent to md in general,
+which results in a slow phase space propagation due to
+a large amount of local minima separated by large energy barriers.
+accelerated methods, like temperature accelerated MD and so on, exist
+to bypass the time scale problem while retaining proper thermodynamic sampling.
+
+however, in addition, the overestimated diffusion barriers,