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@@ -12,17 +12,7 @@ with exporters for GROMACS. There is also experimental code for COM based
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restraints (i.e. harmonic distance or hard wall), which export to the gromacs
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pull code. These experimental implementations have yet to be completely tested.
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In future implementations we aim to expand to other MD engines (notably OpenMM
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support will be coming in the near future as part of efforts to support
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the work done by OpenFE).
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We also aim to eventually implement the following restraint types:
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- Attach Pull Restraint style restraints
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- Arbitrary multidimensional restraints (will require API overhaul)
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Note: This is non-mature code, a lot is left to do and
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major changes will happen at any time.
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Note: This repository will be replaced by separate work done by OpenFE sphere in the near future.
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