GitHub - g-rutter/MD-scripts: MD scripts

Name		Name	Last commit message	Last commit date
Latest commit History 153 Commits
PBS		PBS
PRIME+DynamO		PRIME+DynamO
REMD		REMD
cluster		cluster
hb_dumpfile_to_table_scripts		hb_dumpfile_to_table_scripts
heatcap		heatcap
.gitignore		.gitignore
MBAR_reweighter.py		MBAR_reweighter.py
convert_dumpfile_to_aggregation_info.py		convert_dumpfile_to_aggregation_info.py
dcd_to_pdb.sh		dcd_to_pdb.sh
dcd_to_pdb_slices.sh		dcd_to_pdb_slices.sh
dihedrals_to_ramachandran.py		dihedrals_to_ramachandran.py
gpta-to-aggregation-table.py		gpta-to-aggregation-table.py
mk_heatmap.py		mk_heatmap.py
nmkPLUM.py		nmkPLUM.py
pdb_Rama_diff.py		pdb_Rama_diff.py
pdb_split_chains.sh		pdb_split_chains.sh
pdb_structure_analyse.py		pdb_structure_analyse.py
pdb_to_Ramachandran.py		pdb_to_Ramachandran.py
pdb_to_SABBACpdb.awk		pdb_to_SABBACpdb.awk
pdb_to_per_res_Rama.py		pdb_to_per_res_Rama.py
pdb_to_proteinpdb.awk		pdb_to_proteinpdb.awk
pdb_to_radius_gyration.py		pdb_to_radius_gyration.py
phi_psi_area_hits.py		phi_psi_area_hits.py
split_cols_to_files.bash		split_cols_to_files.bash
traj_to_colvar.sh		traj_to_colvar.sh
unwrap_script.tcl		unwrap_script.tcl
unwrap_script_pdb.tcl		unwrap_script_pdb.tcl