Spaces
Apps
Templates
Create
Force Fields
All content
Space settings
Shortcuts
File lists
File lists
This trigger is hidden
Meeting notes
Meeting notes
This trigger is hidden
Content
Results will update as you type.
Science Roadmaps
Force Field Releases
Research
Bespoke Optimization
Chemical Perception
Torsions
WBO Interpolated Parameters
•
TIG* Coverage
•
TIG6 and TIG7 Check
•
By-molecule ForceBalance Experiment
Fitting TIG* parameters
•
WBO manuscript with Chaya task list
•
Steric effects
•
Benchmarking experimental fits
•
WBO Dataset Design:
RMSD plots
•
Extrapolation beyond limits
•
Notes on nitrogen geometries
•
All SMIRKS patterns in OpenFF 1.0.0 Parsley forcefield
Electrostatics
•
Optimization strategies
•
Physical properties
QM Data Generation
•
Biopolymer Force Field Plan
•
Protein Force Field Project Plan
Valence parameter improvements
Research Projects
Research plans
Benchmarking
Known issues and bugs (@striketeam)
•
Electrostatics refitting plan for Rosemary
•
Meeting notes
Blogs
Force Fields
/
/
WBO Interpolated Parameters
/
TIG6 and TIG7 Check
Summarize
TIG6 and TIG7 Check
Jessica Maat (Deactivated)
Owned by
Jessica Maat (Deactivated)
Last updated:
Nov 12, 2020
1 min read
Loading data...
TIG7 is [#7X2:1]~[#6X3:2]~[#7X3:3]~[*:4]
Open
TIG6 is [#6X3:1]~[#6X3:2]~[#7X3:3]~[*:4]
Open
{"serverDuration": 73, "requestCorrelationId": "a025bd3d42344246af20b677c5988218"}