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add option to use salt #97

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orbeckst opened this issue Nov 2, 2018 · 0 comments
Open
2 tasks

add option to use salt #97

orbeckst opened this issue Nov 2, 2018 · 0 comments

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@orbeckst
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orbeckst commented Nov 2, 2018 •
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Standard ions should be supported in the aqueous phase

  • NaCl
  • KCl

It should be possible to set the concentration in the input file.
@orbeckst orbeckst changed the title add option to use KCl counter ions add option to use salt Nov 2, 2018
orbeckst added a commit that referenced this issue Jul 24, 2021
@orbeckst
add limitations
6aa6bac 
- GROMACS exclusion/rlist bug
- neutral solutes only (#97)
- mixed solvents
ALescoulie pushed a commit to ALescoulie/MDPOW that referenced this issue Aug 1, 2021
@orbeckst @ALescoulie
add limitations
54efd04 
- GROMACS exclusion/rlist bug
- neutral solutes only (Becksteinlab#97)
- mixed solvents
ALescoulie pushed a commit to ALescoulie/MDPOW that referenced this issue Aug 2, 2021
@orbeckst
add limitations
95aeeee 
- GROMACS exclusion/rlist bug
- neutral solutes only (Becksteinlab#97)
- mixed solvents
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@orbeckst