CPPTRAJ: Trajectory Analysis. V1.0.5 ___ ___ ___ ___ | \/ | \/ | \/ | _|_/\_|_/\_|_/\_|_ INPUT: Reading Input from file ptraj_res_rmsd.in [trajin wt1mg_dry.mdcrd] Warning: Box coords detected in trajectory but not defined in topology! Setting box type to rectangular. [reference wt1mg-ref.pdb] Warning: wt1mg-ref.pdb: Atom 10 name [HG ] does not match parm name [HSG ] ERROR: PDBfile::SetupRead(): No frames read. atom=2380 expected 2381. ERROR: Setting up wt1mg-ref.pdb for read. [rmsd :1-154 reference perres range 1-154 perresout all-back.tmp perresmask @CA,C,O,N] TRAJECTORIES: [wt1mg_dry.mdcrd] is an AMBER trajectory, Parm 0 (with box info) (reading 102 of 102) Coordinate processing will occur on 102 frames. PARAMETER FILES: 0: wt1mg_dry.prmtop, 2381 atoms, 155 res, box 0, 0 mol, 0 solvent mol, 102 frames. REFERENCE COORDS: No reference coordinates. No frames defined. OUTPUT TRAJECTORIES: No files. ACTIONS: Initializing 1 actions: 0: [rmsd :1-154 reference perres range 1-154 perresout all-back.tmp perresmask @CA,C,O,N] Error: Rmsd::init: Could not get reference index 0 WARNING: Init failed for [rmsd :1-154 reference perres range 1-154 perresout all-back.tmp perresmask @CA,C,O,N]: DEACTIVATING BEGIN TRAJECTORY PROCESSING: ----- [wt1mg_dry.mdcrd] (1-102, 1) ----- .... Setting up 1 actions for wt1mg_dry.prmtop .... ................................................... [--------------------------------------------------] Segmentation fault