[gmx-users] pbc-replica exchange-trjconv
servaas.michielssens at student.kuleuven.be
Fri Jun 13 16:09:11 CEST 2008
For a given temperature, I will make them continues again then before
Thanks for the help!
> Hoi Servaas,
> Was that the trajectory for a given temperature, or for a given
> system? It should be for the latter, as otherwise, there will be weird
> shifts introduced. A trajectory for a given system, over the different
> conditions should be (from the PBC point of view) continuous and it
> should be possible to perform PBC related operations.
> Hope it helps,
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