.gitignore
LICENSE
README.md
pyproject.toml
.github/workflows/cicd.yml
ptm_parameters/__init__.py
ptm_parameters.egg-info/PKG-INFO
ptm_parameters.egg-info/SOURCES.txt
ptm_parameters.egg-info/dependency_links.txt
ptm_parameters.egg-info/requires.txt
ptm_parameters.egg-info/top_level.txt
ptm_parameters/GROMACS/README.md
ptm_parameters/GROMACS/residuetypes.dat
ptm_parameters/GROMACS/gromos54a8.ff/aminoacids.c.tdb
ptm_parameters/GROMACS/gromos54a8.ff/aminoacids.hdb
ptm_parameters/GROMACS/gromos54a8.ff/aminoacids.n.tdb
ptm_parameters/GROMACS/gromos54a8.ff/aminoacids.r2b
ptm_parameters/GROMACS/gromos54a8.ff/aminoacids.rtp
ptm_parameters/GROMACS/gromos54a8.ff/aminoacids.vsd
ptm_parameters/GROMACS/gromos54a8.ff/atomtypes.atp
ptm_parameters/GROMACS/gromos54a8.ff/dppc.itp
ptm_parameters/GROMACS/gromos54a8.ff/ff_dum.itp
ptm_parameters/GROMACS/gromos54a8.ff/ffbonded.itp
ptm_parameters/GROMACS/gromos54a8.ff/ffnonbonded.itp
ptm_parameters/GROMACS/gromos54a8.ff/forcefield.doc
ptm_parameters/GROMACS/gromos54a8.ff/forcefield.itp
ptm_parameters/GROMACS/gromos54a8.ff/ions.itp
ptm_parameters/GROMACS/gromos54a8.ff/popc.itp
ptm_parameters/GROMACS/gromos54a8.ff/spc.itp
ptm_parameters/GROMACS/gromos54a8.ff/spce.itp
ptm_parameters/GROMACS/gromos54a8.ff/tip3p.itp
ptm_parameters/GROMACS/gromos54a8.ff/tip4p.itp
ptm_parameters/GROMACS/gromos54a8.ff/tmcl.itp
ptm_parameters/GROMACS/gromos54a8.ff/watermodels.dat