runmd

The tools for running molecular simulation using gromacs.

Name		Name	Last commit message	Last commit date
Latest commit History 14 Commits
gromacs		gromacs
pymol		pymol
README.md		README.md
__init__.py		__init__.py
acpype.py		acpype.py
add_group_to_ndx.py		add_group_to_ndx.py
calhbond.py		calhbond.py
configure.ini		configure.ini
del_groups_except.py		del_groups_except.py
dist_of_atoms.py		dist_of_atoms.py
four2rb.py		four2rb.py
getnr.py		getnr.py
getnrarray.py		getnrarray.py
init_md		init_md
itp_match.py		itp_match.py
itpparser.py		itpparser.py
match_charge.py		match_charge.py
md_handle.py		md_handle.py
mdtool.py		mdtool.py
opt_pme.py		opt_pme.py
pack_input.py		pack_input.py
percent90_density.py		percent90_density.py
pos_of_atoms.py		pos_of_atoms.py
smilesconvert.py		smilesconvert.py

CowSmiles/runmd