Alex working #4
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Alex working #4
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ahy3nz
commented
Apr 18, 2018
ahy3nz
commented
- Generate atomistic XML files from txt files specifying bonds, atoms, charges, masses, dihedrals, and impropers for each molecule
- Copy Tim's stratum corneum coarse-grained force field
- Provide conversions for tabulated potentials into gromacs units and lammps/real units
- Include scripts for creating XML files and converting tabulated potentials
added 30 commits
April 17, 2018 18:21
…partially charmm36
added 10 commits
April 18, 2018 11:42
This was referenced Apr 18, 2018
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