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**Submitting author:** @mkphuthi (Mgcini Keith Phuthi)
**Repository:** https://github.com/BattModels/asimtools.git
**Branch with paper.md** (empty if default branch):
**Version:** v0.0.0
**Editor:** …
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I am currently working on adding support for the [HOOMD-blue simulation engine](https://hoomd-blue.readthedocs.io/en/latest/) (version 3, which is currently in beta). I am opening this issue to commun…
bdice updated
2 years ago
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## New Use Case
Aspect | Detail
------------ | -------------
Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
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**Describe the bug**
When trying to load a LAMMPS topology (data file) and trajectory, MDAnalysis fails with the errors `This Universe does not contain element information` and `This Universe does no…
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Hello,
I am playing with the `hadress_water/water.py` to learn AdresS. My end problem is based in a similar system of the example, but with a sphere configuration of the atomistic region. About thi…
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## New Use Case
Aspect | Detail
------------ | -------------
Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
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Dear Developers and Users of MDAnalysis,
We are aware that there is currently no official feature in MDAnalysis for calculating the bending modulus of lipid membranes. However, we have been working…
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As in https://github.com/openmm/openmm-torch/issues/33, I am trying to implement a SchNet neural network into OpenMM for md simulations. I wrote the ForceModule as in https://github.com/openmm/openmm-…
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***(1)*** Where can i find documentation for what CHL1, ASM, LSM, BSM, BENA, ... are in spica_top.json ? Some of them can be seen at https://www.spica-ff.org/forcefield.html but i cant find anythin…
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Dear Developers,
I wonder if you can:
1. give a little guide on how to implement a per-atom collective variable. Some things are similar to [MultiColvar](https://www.plumed.org/doc-v2.7/user-doc…