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Sage 2.2.1 Release Candidate 1
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@j-wags j-wags released this 22 Jul 22:46
· 18 commits to main since this release
2024.07.0
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Learn about vigilant mode.

The new force field files in this release are from 2.2.1-rc1 tag of the Sage-2.2.1 repo.

This force field is applicable to druglike molecules consisting of the elements C, H, O, N, P, S, F, Cl, Br, and I, and the monoatomic ions Li+, Na+, K+, Rb+, F-, Cl-, Br-, and I-. The parameters have been co-optimized to TIP3P water, therefore this contains parameters for TIP3P, including bond length constraints.

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