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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: Open Babel 2.4.1 -- Jan 2 2017 -- 15:21:43
Operating system a…
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What do you think about the idea of create a repository of .mdp files? It may be very helpful.
Maybe not the ones we are using right now. I don't have many in hand as I'm not doing many simulations t…
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Hello,
I have just installed GROMACS with the intention to use the MDPOW package. I am going through the tutorial for MDPOW and am running into the following error:
"
```
gromacs.run : INFO …
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in order to optimize speed, the import pipeline is reading ADS Classic record with flag fulltext=False
this results in us not having the acknowledgement field, example is below: 2015JAP...117m5901S
…
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Should run 10x faster.
cc: @lungd @raminmh
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Think about possible ways of simulating garments.
**Edit**: I copied here the todo bullet points so that GitHub can track then in the project kanban:
### Básicas
* [x] Hacer una camiseta
* [x…
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Hi,
I have been trying to figure out how to use AMDForceGroupIntegrator in OpenMM. I have been getting the below error.
Do I need to combine AMDForceGroupIntegrator with Langevin Integrator to …
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# Overview: The Current State
- The ubuntu cuda 9.1 deb packages _appear_ to be incompl…
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In the supplemental to the publication there are numerous filters applied to the reads is it possible to dump these filtered reads to a bam?
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https://gist.github.com/idontgetoutmuch/597bcbe396a2598887542d35671fc72e