tools:gromacs
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tools:gromacs [2021/10/12 08:40] – created oschuett | tools:gromacs [2022/09/14 10:05] (current) – oschuett | ||
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{{ : | {{ : | ||
- | * [[https://gitlab.com/gromacs/gromacs/ | + | * [[ https://manual.gromacs.org/current/ |
- | * [[https://gitlab.com/gromacs/gromacs/ | + | * [[https://manual.gromacs.org/current/ |
- | * [[https:// | + | * [[https:// |
* [[https:// | * [[https:// | ||
* [[https:// | * [[https:// | ||
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< | < | ||
; CP2K QMMM parameters | ; CP2K QMMM parameters | ||
- | qmmm-active | + | qmmm-cp2k-active |
- | qmmm-qmgroup | + | qmmm-cp2k-qmgroup |
- | qmmm-qmmethod | + | qmmm-cp2k-qmmethod |
- | qmmm-qmcharge | + | qmmm-cp2k-qmcharge |
- | qmmm-qmmultiplicity | + | qmmm-cp2k-qmmultiplicity |
; Other mdp parameters.... | ; Other mdp parameters.... | ||
</ | </ |
tools/gromacs.1634028020.txt.gz · Last modified: 2021/10/12 08:40 by oschuett