[gmx-users] Configurations stored in REMD trajectories

[Mark Abraham]

On 31/12/2011 7:03 AM, César Ávila wrote:
> Dear all,
> perhaps someone can help me with this doubt. When a REMD simulation is 
> run, which configuration is stored for any given replica, the one 
> before the exchange or the one that we get after the exchange (i.e. 
> the exchange partner configuration)?

Replica exchange occurs after all output - it's essentially the last 
thing that happens in the main loop.

Mark