[gmx-users] Configurations stored in REMD trajectories

[César Ávila]

Thanks :D

2011/12/30 Mark Abraham <Mark.Abraham at anu.edu.au>

> 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
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