Decide on simulation settings: - Githubissues

choderalab / protons

OpenMM testbed for constant-pH methodologies.

http://protons.readthedocs.io/

MIT License

20 stars 13 forks source link

Decide on simulation settings: #106

Open bas-rustenburg opened 7 years ago

bas-rustenburg commented 7 years ago

We want to pick a default

[ ] NCMC protocol ( could use linear for everything)
[ ] Desired simulation length
[ ] pH values of interest