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A figure representing the required RAM per replica as a function of the cluster size (N≤20000) is also provided as benchmark.
For free-energy calculations, fully converged free-energy landscapes of the wild type and single mutant monomers were obtained by parallel tempering metadynamics78 simulations in the well-tempered ensemble (with 6 replicas per system and ~680 and ~610 ns per replica, respectively34).
My guess is that it costs $800 million per replica, but I could be just slightly off.
Total RNA was isolated from cultures of various embryonic stages, approximately 100 embryos per replica.
In average, there were 10.8 million STRT reads and 7.92 million mapped reads per replica.
An additional 5760 structures (1.2 ns per replica) were collected at this optimal T for further analysis.
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The Sun implementation hard-codes pathnames in /var/krb5 for the update log and the per-replica kprop dump files.
In the MIT implementation, the pathname for the update log is specified in the config file, and the per-replica dump files are stored in LOCALSTATEDIR/krb5kdc/replica_datatrans_hostname.
In this work, de novo replica exchange molecular dynamics (REMD) simulations on the microseconds-per-replica timescale are used to characterize the structural ensembles of Aβ42, Aβ40, and M35-oxidized Aβ42, three physiologically relevant isoforms with substantially different aggregation properties.
J-coupling data calculated from the REMD trajectories were compared to corresponding NMR-derived values acquired through two different pulse sequences, revealing that all simulations converge on the order of hundreds of nanoseconds-per-replica toward ensembles that yield good agreement with experiment.
The bacterial suspensions were inoculated in PVC 96-well plates (Becton Dickinson Labware) with 100 µl per well (8 replica per strain), sealed with an air-permeable BREATHseal cover foil (Greiner Bio-One) and grown under static conditions at 37°C in an incubator with humid atmosphere.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com