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Added customizable local forcefields and access to LigParGen
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@seamm seamm released this 29 Jun 14:13
· 8 commits to main since this release
2024.6.29
d1598eb
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Learn about vigilant mode.
  • Added the machinery to handle local forcefield files in either ~/.seamm.d/data/Forcefields (personal) or ~/SEAMM/data/Forcefields (site).
  • Added 'ligpargen' command to access custom parameters from the LigParGen service at Yale University, ading them to the 'ligpargen.frc' personal forcefield, which is automatically included in 'oplsaa.frc' if it exists.
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