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Hi Felix.
I have an RRBS experiment done with Premium RRBS kit from Diagenode (protocol attached). In order to make a full NextSeq 500 single-end 75nt run, we first try a small run with a MIseq paire…
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### Topic
- [ ] Running an RMG job
### Question
Hi,
I want to use a mechanism from a literature as my kinetic library in input file.
Can I use a different kinetic or themo data from refere…
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Re-work the protobufs for kinetics objects to allow for sending of not just mole fractions but also:
- list of chemical species (e.g. "H2O," "CH4") -- **make sure these correspond to the mole fracti…
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We get an antioch_not_implemented() error in read_reaction_set_data.C, when the code can't decide what sort of reaction "falloff" is.
In the XML file, there's a `` tag, but our code seems to be assum…
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## Is this issue lecture specific?
- [ ] 0 - Course Introduction and Build-up
- [ ] 1 - Introduction to Thorium Energy and the TMSR
- [ ] 2 - TMSR History, Reactor Basics and Developers
- [ ] 3 -…
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The description of the feature seems odd to me since one can constantly introduce energy into the system with this freature (till time infinity). With a fixed number of reactants it is in reality not …
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Not sure about this, since users might be tempted to use it instead of much more robust solutions based on chemical ID mappings. Please add your comments below explaining why you think we should do it…
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Dear All,
a colleague and I discussed how we could use RMG for future work and the idea cropped up to employ the library feature to extent RMG to model "things it doesn't know".
I.e. specify Compound …
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My understanding is that we represent _carbon monoxide_ as the triple-bonded structure with charged atoms, each atom bearing 1 lone pair.
When I run this Molecule through RDKit's `Chem.Sanitize`, it …
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# general
- many notebooks need more exercises. a good rule of thumb might be 5 minutes talking, 10 minutes for exercises
- i think we should write out learning objectives and timing at the top of e…