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Pull requests: graeter-group/kimmdy

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Pull requests list

Added prefixes for running KIMMDY on HPC Clusters that require srun/mpirun for gromacs binaries
#517 opened Feb 27, 2025 by DenisKiesewetter Loading…
fix!: slowgrowth
#505 opened Jan 23, 2025 by jmbuhr Loading…
13
Fix/improper section
#503 opened Nov 6, 2024 by ehhartmann • Draft
2
chore(main): release 6.14.0 autorelease: pending
#501 opened Nov 5, 2024 by github-actions bot Loading…
Files non check
#491 opened Sep 19, 2024 by jmbuhr • Draft
fix: Remove the assumption that residuetypes are available
#446 opened Jun 20, 2024 by ehhartmann Loading…
4
[draft] ff type api
#379 opened Feb 22, 2024 by KRiedmiller Loading…
2
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