added CYX - Githubissues

plumed / plumed2

Development version of plumed 2

https://www.plumed.org

GNU Lesser General Public License v3.0

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added CYX #1104

Closed federicoballabio closed 3 months ago

federicoballabio commented 3 months ago

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

[x] 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

[x] 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.
[X] I verified that all regtests are passed successfully on GitHub Actions.