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openmmforcefields/charmm/ffxml
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John Chodera 739c1bc5ad Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
..
charmm36_nowaters.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
charmm36.xml
Rename CHARMM metapackage
2017-11-19 12:47:03 -05:00
charmm_polar_2019.xml
Added 2019 CHARMM Drude force field
2020-06-05 08:54:57 -07:00
toppar_all36_carb_model.xml
Regenerate CHARMM ffxml parameters using https://github.com/ParmEd/ParmEd/pull/1001
2018-08-11 19:39:12 -04:00
toppar_all36_lipid_model.xml
Regenerate CHARMM ffxml parameters using https://github.com/ParmEd/ParmEd/pull/1001
2018-08-11 19:39:12 -04:00
toppar_all36_na_model.xml
Regenerate CHARMM ffxml parameters using https://github.com/ParmEd/ParmEd/pull/1001
2018-08-11 19:39:12 -04:00
toppar_all36_prot_model.xml
Regenerate CHARMM ffxml parameters using https://github.com/ParmEd/ParmEd/pull/1001
2018-08-11 19:39:12 -04:00
waters_ions_default.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_spc_e.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_spc.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip3p_pme_b.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip3p_pme_f.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip4p_2005.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip4p_ew.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip4p.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip5p_ew.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00
waters_ions_tip5p.xml
Update CHARMM to July 2020 release; delete toppar so parameters are retrieved before conversion
2021-02-04 20:05:26 -05:00