Add the support for four new water models to the add12_6_4 in ParmEd#1344
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pengfeili1 wants to merge 2 commits into
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Add the support for four new water models to the add12_6_4 in ParmEd#1344pengfeili1 wants to merge 2 commits into
pengfeili1 wants to merge 2 commits into
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…P4P-FB to add12_6_4 function in ParmEd.
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I made these changes in #1346 so I could fix the test failures. |
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Hi Jason,
In this merge request, I have added the support for four new water models OPC3, OPC, TIP3P-FB, and TIP4P-FB to the add12_6_4 function in ParmEd. Can you approve the merge request? Thanks!
Warm regards,
Pengfei