A valence fit to existing QM small molecule + protein data with looser torsion priors.
👀 Overview
Summary | One reason our protein force field candidates may not approach the performance of AMBER force fields may be because we are getting stuck in a nearby local minimum. Loosening torsion priors may help us move away from this minimum. Torsion priors have not yet been updated in this investigation so far. This is related to the different optimization algorithms approach. |
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GitHub repo/branch | |
Status | NOT STARTED IN PROGRESS COMPLETED WON'T PROGRESS |
\uD83D\uDEA9Â Milestones and metrics
Stage | Milestone/Benchmark | Contributors | Deadline | Status |
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NOT STARTED IN PROGRESS COMPLETED | ||||
Benchmark | PASSED FAILED | |||