quickice/sample_output at main · molmdl/quickice · GitHub

Name		Name	Last commit message	Last commit date
parent directory ..
README.md		README.md
ice_candidate_01.pdb		ice_candidate_01.pdb
ice_candidate_02.pdb		ice_candidate_02.pdb
ice_candidate_03.pdb		ice_candidate_03.pdb
ice_candidate_04.pdb		ice_candidate_04.pdb
ice_candidate_05.pdb		ice_candidate_05.pdb
ice_candidate_06.pdb		ice_candidate_06.pdb
ice_candidate_07.pdb		ice_candidate_07.pdb
ice_candidate_08.pdb		ice_candidate_08.pdb
ice_candidate_09.pdb		ice_candidate_09.pdb
ice_candidate_10.pdb		ice_candidate_10.pdb
ice_ih.top		ice_ih.top
ice_ih_1.gro		ice_ih_1.gro
ice_ih_10.gro		ice_ih_10.gro
ice_ih_2.gro		ice_ih_2.gro
ice_ih_3.gro		ice_ih_3.gro
ice_ih_4.gro		ice_ih_4.gro
ice_ih_5.gro		ice_ih_5.gro
ice_ih_6.gro		ice_ih_6.gro
ice_ih_7.gro		ice_ih_7.gro
ice_ih_8.gro		ice_ih_8.gro
ice_ih_9.gro		ice_ih_9.gro
phase_diagram.png		phase_diagram.png
phase_diagram.svg		phase_diagram.svg
phase_diagram_data.txt		phase_diagram_data.txt
tip4p_ice.itp		tip4p_ice.itp

README.md

#contents of this directory was generated with the following command: python quickice.py -T 273 -P 0.1 -N 216 -o sample_output -g