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Hello experts,
I've been trying to run simulations of proteins with a hybrid, both explicit+implicit, solvent model, but don't really know what is the right way to define the forcefield.
It is …
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Comment here with the day you wish to present, the name of the software (linked to the website), and a sentence or two about what it does. Please link *your* `proposal.md` below. (You are encouraged t…
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**Is your feature request related to a problem? Please describe.**
Using LAMMPS can be a bit of a pain.
**Describe the solution you'd like**
OpenMM is a really easy to use, Pythonic MD code that…
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Created run for BG MAM4
Used same compset (except MAM instead of CARMA)
./create_newcase --compset FWmaHIST --res f19_f19_mg17 --project P19010000 --run-unsupported --case /glade/work/visioni/cas…
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I've made some significant gains in performance this weekend. Tests now run in 180 seconds vs 250 seconds before, and a lot of that is compilation time. There are still a lot of improvements that can …
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## Keyword: out of distribution detection
There is no result
## Keyword: out-of-distribution detection
There is no result
## Keyword: expected calibration error
There is no result
## Keyword: overc…
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This issue is to gather any inconsistent naming/typo/mistakes in GDevelop interface.
This is only **for the English language** - translations are managed on [Crowdin](https://crowdin.com/project/gd…
4ian updated
3 months ago
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When trying to read this file (and other similar ones), I get:
```julia
julia> read("vmd.pdb", BioStructures.PDB)
ERROR: Two copies of the same atom have the same alternative location ID. Existin…
lmiq updated
4 months ago
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Hello Cam,
This is an awesome project. I was wondering at what flapping frequency do you expect the unsteady VLM solver to stop giving accurate results? Have you attempted any validation on the fo…
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Michael,
I am working on comparing PCF-PSO and MBAR some more. I have added a new folder titled "Ethane" to the "MBAR_LJ_two_states" repository on Github. I believe I already invited you to join th…