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I paste here the current bibliography. It looks like there is a problem in retrieving information. Perhaps the service has some band limitation?
```
[plumID:19.070]
[plumID:19.067]
[plumID:1…
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These papers are already included, but I'm filling in some more details. Thanks (once again!) for the effort!
1. Title: TeleGam: Combining Visualization and Verbalization for Interpretable Machine …
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Hi @timfrol,
I hope your vacation went well.
I created this repo in an attempt to calculate the diffusivity constant.
Please check out the LAMMPS scripts.
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When simulating either large systems or long time scales, parsing a text file (`xyz.out`) may be very slow. I suggest at least supporting just a binary file that is easily loaded in numpy (Python) or …
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Hi,
So far I'm able to run a simulation of pure methanol. Now I would would like tu run a HAdReS simulation of a catenan dimer (two knotted loops) in methanol.
In the ubiquitin example I do not u…
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I have now red also the revised version with great interest. I have listed here some comments which came to my mind. Hopefully you find these useful.
1) Page 3:
"For a detailed view of thermal flu…
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I have red your manuscript with great interest and I have several comments and suggestions. I will make separate issues on few important topics that I have in mind, but I will start here by suggesting…
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Dear developers, I want to write python codes to read .xtc file generate by GMX simulation and do some analyses. I know that the MDtraj is a great program. Can you provide some reference codes for me …
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**[Original report](https://bitbucket.org/glotzer/hoomd-blue/issue/269) by Jens Glaser (Bitbucket: [jens_glaser](https://bitbucket.org/jens_glaser), GitHub: [jglaser](https://github.com/jglaser)).**
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@keipertk presented me [this link](https://wiki.fysik.dtu.dk/ase/) which is for the Atomic Simulation Environment. It's quite close to Simulation Development Environment. Also @keipertk's "market te…