[gmx-users] REMD problem in concept

Mark Abraham Mark.Abraham at anu.edu.au
Wed Dec 3 03:03:01 CET 2008

sarbani chattopadhyay wrote:
>   Hi,
>     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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