Search found 2 matches
- Wed Dec 06, 2023 8:27 am
- Forum: OpenMM
- Topic: Custom anisotropic potential
- Replies: 2
- Views: 948
Re: Custom anisotropic potential
Hi, I am building a coarse-grained model for DNA, where the bases are represented as ellipsoids. In the model, any two bases would interact with each other following Gay-Berne potential. There are other spherical particles in the system too, say sugar beads, phosphate beads and explicit ions, which ...
- Wed Nov 29, 2023 1:23 pm
- Forum: OpenMM
- Topic: Custom anisotropic potential
- Replies: 2
- Views: 948
Custom anisotropic potential
Hi everyone,
I need to implement a custom anisotropic potential (for example, only repulsive part of the Gay-Berne potential) using OpenMM. Is there a direct way to do this? I welcome any suggestions that you may have!
thanks,
Balaka
I need to implement a custom anisotropic potential (for example, only repulsive part of the Gay-Berne potential) using OpenMM. Is there a direct way to do this? I welcome any suggestions that you may have!
thanks,
Balaka