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Iermi peg paper - #1698

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iermi_PEG_PAPER

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Iermi peg paper#1698
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iermi_PEG_PAPER

Commits on Jun 30, 2026
- the molecule of di-propylene glycol methylene ether
  iermi
  authored
  33708bb
- one di-propylene glycol methylene ether, pdb-structure
  iermi
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  94cc8a0
- PGME.pdb renamed
  iermi
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  38a85b3
- Renamed PGME.py
  iermi
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  3513904
Commits on Jul 1, 2026
- PGME and 30 wt % of water
  iermi
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  9f21ca9
- PGME and 40 wt % of water
  iermi
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  532bc29
- Add files via upload
  iermi
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  3c6a29f
- PGME and 50 wt % of water
  iermi
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  a07c90f
- PGME and 60 wt % of water
  iermi
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  4eae971
Commits on Oct 4, 2026
- pdb-files and a structural file from Gromacs
  iermi
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  4e045a5
- Create README.md for PEG paper file descriptions
  iermi
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  c5557e4
- Fix typo in README example description
  iermi
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  7c5ae34
- Fix formatting of example file name in README
  iermi
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  3df0ff0
- Fix formatting of code snippet in README.md
  iermi
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  6134140
Commits on Oct 11, 2026
- convert the system from Gromacs to OpenMM
  iermi
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  1d4fa07
- Files which were used in conversion from Gromacs
  iermi
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  7df12a4
- Create forcefield.itp for OPLS-AA force field
  iermi
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  6147446
- Folder contains files from OPLSAA force field
  iermi
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  9b5c798
- files for simulating in open mm
  iermi
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  dc22631