[AMBER] AMBER HREMD replica trajectory

From: Richard Kullmann <Richard.Kullmann.mpikg.mpg.de>
Date: Wed, 3 Feb 2021 15:34:11 +0100

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,


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Received on Wed Feb 03 2021 - 07:00:03 PST
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