Hi all,
I am currently running Hamiltonian Replica Exchange MD on Amber 20. As I
am investigating a binding process to a protein, it would be nice to
have a look at trajectories of individual replicas instead of
Hamiltonians. It seems like cpptraj doesn't have a feature for this, so
here's my question: what is the easiest way to do this?
Thank you very much in advance,
Richard
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Received on Wed Feb 03 2021 - 07:00:03 PST
