-
```
Hi,
Following-up on a recent thread regarding issue with cholesterol selection, I
think it'd be a good idea to have more control on the selection keywords used
by MDAnalysis.
One the one hand ha…
-
This [reddit post](https://www.reddit.com/r/starcraft/comments/19abrmk/possibly_new_immortal_bug_that_effects_real_games/) shows that Immortals can stack via movement orders.
This seems to be extra…
Ahli updated
7 months ago
-
`opls_180` is missing in non-bonded forces section. So, no parameters can be inferred.
-
Currently, [`devtools/`](https://github.com/openmm/openmm/tree/master/devtools) contains
* `ci/jenkins/` - Jenkins scripts that are 17 months old and presumably no longer in use
* `forcefield-script…
-
```
Hi,
Following-up on a recent thread regarding issue with cholesterol selection, I
think it'd be a good idea to have more control on the selection keywords used
by MDAnalysis.
One the one hand ha…
-
### Short Description of the issue:
I was playing around with the new forcefields, which are awesome, when I deleted a wedge type and crashed. It was not the first time I had deleted a forcefield bri…
-
Help on the Topology work, in finding the work affected by handleTopologicalChange()
Forcefields handling topology change:
- TriangularFEMForceField
- TriangularBendingSprings
- RegularGridSprin…
-
I was trying to parametrize a protein with a TPO residue, but I encountered an error. Could you please help me?
[protein_prep.txt](https://github.com/user-attachments/files/16683847/protein_prep.tx…
-
There are several quirks in the way the i-PI folder structure is arranged, which is becoming awkward now that we package for pipy.
We should rationalize the structure of folders and in particular do…
-
```
Hi,
Following-up on a recent thread regarding issue with cholesterol selection, I
think it'd be a good idea to have more control on the selection keywords used
by MDAnalysis.
One the one hand ha…