[gmx-users] replica exchange
a_koet04 at uni-muenster.de
Fri Oct 12 10:58:51 CEST 2018
Dear gromacs users,
is there a way to perform replica exchange in two dimensions? I would like to perform replica exchange umbrella sampling and for each umbrella window I want to have some replicas at higher temperatures (actually REST2). From the manual it doesn't seem as if this was possible, but is there maybe a trick or some other functionality (maybe with plumed, I dont see a way here either however)?
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