Code

Add JACS Au reference#1

Code

Draft

ricalessandri wants to merge 5 commits intomainricalessandri/redox-active-polymers:mainfrom jacsauricalessandri/redox-active-polymers:jacsauCopy head branch name to clipboard

+2,712-2,700

Commits

Commits on Jun 10, 2024

• Add JACS Au Ref

  ricalessandri

  committed
  4d2ce60

• Small fix to README.md

  ricalessandri

  authored
  faf06e0

Commits on Jun 13, 2024

• Update atomtypes names to standard share/gromacs/top/oplsaa.ff/ffnonbonded.itp names

  ricalessandri

  committed
  12e6bc6

Commits on Jul 6, 2024

• Use them same CH3 (and CH3O) for all the polymers

  ricalessandri

  committed
  040a6fc

• Cosmetic change to the same-CH3 itps

  ricalessandri

  committed
  8fae638