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added CYX #1104

Merged
merged 1 commit into from
Aug 1, 2024
Merged

added CYX #1104

merged 1 commit into from
Aug 1, 2024

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federicoballabio
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Description

added CYX (oxidized CYS) resname in PDB.cpp to ensure compatibility with ONEBEAD representation in SAXS module.

Target release

I would like my code to appear in release 2.9

Type of contribution
  • changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
  • changes to a module not authored by you
  • new module contribution or edit of a module authored by you
Copyright
  • I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.
Tests
  • I added a new regtest or modified an existing regtest to validate my changes.
  • I verified that all regtests are passed successfully on GitHub Actions.

@carlocamilloni carlocamilloni merged commit e93ff70 into plumed:master Aug 1, 2024
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carlocamilloni pushed a commit that referenced this pull request Aug 1, 2024
@federicoballabio @carlocamilloni
added CYX (oxidized CYS) resname in PDB.cpp to ensure compatibility w…
5ffd42a 
…ith ONEBEAD representation in SAXS module. (#1104)
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2 participants
@federicoballabio @carlocamilloni