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I am working on the fusion and integration of polymer melts, where thermal diffusion closely couples with molecular dynamics. Coarse-grain (CG) molecular dynamics simulations are useful to get insight…
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# Overview: The Current State
![image](https://user-images.githubusercontent.com/19792522/40171370-eb8ce746-597f-11e8-919f-36b6b1c80910.png)
- The ubuntu cuda 9.1 deb packages _appear_ to be incompl…
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When registering services at bio.tools, we (at ELIXIR-Spain) could not properly assigned terms to the different services related to molecular dynamics and simulation. We couldn't either register servi…
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Hello Tomas,
Just bumped into this error recently when I tried to change the simulation time from the main window. When I edit the time (bottom right box) and click on `OK`, I can see that the _nst…
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With the latest release of `DynamicalSystems` I think it is about time that this package as well `DynamicalBilliards` go into an organization. I just learned that there is an organization called Julia…
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Hi,
I want use HTMD on GPU clusters.
Firstly, I build the system and run equilibration on a GPU cluster which has 5 GPU.
I got this error
```
You are on the latest HTMD version (1.7.33).
201…
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From the Java Tips (some rewording necessary)
- [x] For solid water, the sim simplifies the model emphasizing that there is space between the
molecules. A resource for the most common visual for …
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Hello,
First thanks for sharing your code!
I have a question regarding the running time od DNA_metropolis:
On the website it takes like 10 second to generate the configuration,
but when I execute…
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Good day,
I would like to simulate the small positive charge on halides (Chlorine, Bromine and Iodine, but not Fluorine) on ligands for docking (Autodock) and molecular dynamics simulations (Gromac…
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We need to re-write the current standard comment header in our source files to better reflect the changes that have happened to the project since its early pre-2013 days.
The current header reads
``…