-
**Submitting author:** @jpotoff (Jeffrey Potoff)
**Repository:** https://github.com/GOMC-WSU/MoSDeF-dihedral-fit/
**Branch with paper.md** (empty if default branch):
**Version:** 0.0.3
**Editor:** @p…
-
Hi,
I put gro and top files in gro2lam and autoloaded itp files. here is the output results. I recently started using gro2lam and do not know yet about how to use enough to fix this problem, sayi…
-
![dihedral](https://github.com/RInterested/statistics/assets/9312897/b8479469-c208-477d-9126-41b1ad802c80)
-
Integrate ability to assess dihedral angles into bond length/angle analysis.
-
> `Dihedral_angle_cosine` might be useful for other tet-related packages. Do you plan to make it more official one way or another?
_Originally posted by @lrineau in https://github.com/CGAL/cgal/pul…
-
Current ```identifyDihedrals``` uses the CONECT records to find dihedrals. It would be good to do this from ATOM information alone, since atom types and residues are readily available information from…
-
I would like to know if the specs support elements such as measures (distance, angle, dihedral)?
-
Compile LAMMPS with -fsanitize= and run examples:
- [ ] address
- [ ] leak
- [ ] thread (with OpenMP)
- [ ] undefined
---
- [ ] Compile LAMMPS with floating point traps enable and trapping integ…
-
The BOKEI paper (https://doi.org/10.1039/C9CP06688H) shows the success of using correlated dihedral information.
- [ ] Consider how to implement correlated dihedrals as a weak prior (e.g., πBO)
- …
-
When I run my script, i got some strange error:
```
/home/coder/miniconda3/envs/htmd_env/lib/python3.7/site-packages/simtk/openmm/app/charmmparameterset.py:389: UserWarning: Replacing dihedral with…