Hello everyone,
Recently, I read the papers about doing Hamiltonian replica exchange
with accelerated MD simulations:
http://pubs.acs.org/doi/pdf/10.1021/jp4125099
In the paper, the simulations were performed with a developmental
version of Amber 12, as the boost potential
was added to the system potential, in order to calculate the exchange
rate between neighboring replicas properly.
Is this feature available in Amber16? Thanks very much!
All the best,
Qinghua
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Received on Wed Jul 05 2017 - 06:30:02 PDT
