[gmx-users] REMD problem in concept
Mark.Abraham at anu.edu.au
Wed Dec 3 03:03:01 CET 2008
sarbani chattopadhyay wrote:
> Thank you for the reply. But in that case what helps the replica at
> higher temperature cross the energy barrier? At higher temperature the
> velocities will be higher.
For the same reason it can cross more easily at high T in non-REMD: when
there is more KE going around, PE barriers are less significant. The
nature of the free-energy surface can also be temperature dependent.
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