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[GROMACS tutorial](http://www.mdtutorials.com/gmx/complex/01_pdb2gmx.html )
[GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design](https://doi.org/10.1021/acs.jcim.2c0004…
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As far as I understand, there is no official support of LAMMPS as a force calculator for TDEP. [Here](https://ollehellman.github.io/page/1_utilities.html) I've found some information on how to run LAM…
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# "fffaraz/awesome-cpp"
*22-06-2021 13:07*
> A curated list of awesome C++ (or C) frameworks, libraries, resources, and shiny things. Inspired by awesome-... stuff. - fffaraz/awesome-cpp
A cur…
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### Comment:
Dear Developers,
@luthaf and I were wondering if it was possible to have plumed builds with all of the modules enabled?
We are currently setting up a tutorial that requires a module…
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At present, there is an `installation` section in the documentation, which describes how to compile the code in general.
However, it would be convenient and attractive for new users to have specifi…
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Very nice tutorial. I went through the polymer in water tutorial. I wasn't able to run the first part as I don't think the create_atoms overlap/maxtry arguments were introduced until 2022 and I have a…
zbas updated
8 months ago
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**Submitting author:** @AndresRTejedor (Andrés R. Tejedor)
**Repository:** https://github.com/AndresRTejedor/Mold
**Branch with paper.md** (empty if default branch): joss
**Version:** v1.0.0
**Edi…
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Hi, I'm having a problem following tutorials. Would you tell me how I can solve this problem?
Here is the exception message when I try to run run.py.
Exception: In params ./params file not exist …
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This ticket is to track who is doing what to fix the build/installation/usage problems of libfabric.
Existing problems:
- versions > 1.8.1 do not work with ADIOS (Slingshot comes with 1.11)
- ADI…
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I'm walking through your tutorials on an Arch Linux machine and I have to rebuild lammps every time I discover a new package is needed after running the input. It's not that much of a deal but my mach…