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Reviewer `#3` (Remarks to the Author):
In Table 6, why are the computational domains chosen as cubics for all proteins for APBS? It is unfair for APBS in terms of efficiency.
In Table 7, solvat…
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Hello friends,
I’m a CPU architect at Ampere Computing where I do performance analysis and workload characterization. I also serve on the [SPEC CPU](https://spec.org/cpu2017/) committee, working on…
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Hi @anna-neufeld
thanks for this very interesting and very much needed package. I think the approach you take is brilliant and your tutorials are extensive. However, I really miss a tutorial that s…
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In setting up a metadynamics simulation with a system and state file, I was hoping to be able to setup a simulation using a dihedral and a pair of distances as my collective variables. However, when I…
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The manuscript presents a software package for boundary element method
(BEM) calculations that has been modified to calculate optical
extinction spectra for models of biological molecules in close
…
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Nick Srnicek, lays out the "crisis of representation" problem
https://medium.com/after-us/navigating-neoliberalism-f9fae2405488#.kd4aliz0r
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## Background
Diamond lattices are created by creating fully stretched polymer chains between crosslinker particles. It is sometimes desirable to compact the hydrogel to reduce pore sizes. There is…
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We've been on a chirality and cis-peptide mistake hunting recently, after we discovered that `Ensembler` was causing these in some simulations. I also just looked through some of my manually set up si…
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- _**Organization strategy to deal with numeric namespace of dictionaries which are handled at administrative level #39**_
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After #39, we will eventually have to integrate at least population…
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# Reviewer 1
- [ ] To start with, I think that intuitions should be put forward more quickly in the manuscript. I was convinced of the validity of the model for connectomes only when I saw figure …