CLN025 Tripeptide Simulation Data

"tripeptide_nowater.dcd" : Exercise 1 (trajectory files of alanine tripeptide removing water molecules and ions) "tripeptide_nowater.psf": Exercise 1 (topology files of alanine tripeptide removing water molecules and ions)"tri_sin_phi_data.npz": Exercise 1, 2 (Extract the sine values of six backbone dihedral angles of tripeptide trajectory, together with the corresponding dihedral angle values (φ) and save as a npz file) "cln025_aligned.npz": Exercise 3 (Align a CLN025 dcd trajectory to a reference structure and output a npz file of aligned Cartesian coordinates) "chig_sin_rmsd_rg_data.npz": Exercise 3 (Extract and store sine-transformed dihedral angles, RMSD, and Rg data from CLN025 trajectory and output a npz file )