CPPTRAJ: Trajectory Analysis. V14.25 ___ ___ ___ ___ | \/ | \/ | \/ | _|_/\_|_/\_|_/\_|_ Reading 'com_solv.top' as Amber Topology INPUT: Reading Input from file rmsd.cpptraj [trajin prod.mdcrd] Reading 'prod.mdcrd' as Amber Trajectory [trajin prod1.mdcrd] Reading 'prod1.mdcrd' as Amber Trajectory [trajin prod2.mdcrd] Reading 'prod2.mdcrd' as Amber Trajectory [trajin prod3.mdcrd] Reading 'prod3.mdcrd' as Amber Trajectory [reference heat.rst] Reading 'heat.rst' as Amber Restart 'heat.rst' is an AMBER restart file with velocity info, Parm com_solv.top (Orthogonal box) (reading 1 of 1) [rms reference out rmsd_MUT.dat :1-249 @N,CA,C time 10.00] Reference mask: [@N,CA,C](738) RMSD: (:1-249), reference is reference frame heat.rst (@N,CA,C), with fitting. ---------- RUN BEGIN ------------------------------------------------- PARAMETER FILES: 0: 'com_solv.top', 36689 atoms, 11129 res, box: Orthogonal, 10884 mol, 10875 solvent, 3000 frames INPUT TRAJECTORIES: 0: 'prod.mdcrd' is an AMBER trajectory, Parm com_solv.top (Orthogonal box) (reading 212 of 212) 1: 'prod1.mdcrd' is an AMBER trajectory, Parm com_solv.top (Orthogonal box) (reading 1749 of 1749) 2: 'prod2.mdcrd' is an AMBER trajectory, Parm com_solv.top (Orthogonal box) (reading 442 of 442) 3: 'prod3.mdcrd' is an AMBER trajectory, Parm com_solv.top (Orthogonal box) (reading 597 of 597) Coordinate processing will occur on 3000 frames. REFERENCE FRAMES (1 total): 0: 'heat.rst', frame 1 Active reference frame for masks is 0 TIME: Run Initialization took 0.0000 seconds. BEGIN TRAJECTORY PROCESSING: ..................................................... ACTION SETUP FOR PARM 'com_solv.top' (1 actions): 0: [rms reference out rmsd_MUT.dat :1-249 @N,CA,C time 10.00] Target mask: [:1-249](4059) Warning: Number of atoms in target mask (4059) does not equal Warning: number of atoms in reference mask (738). Warning: Setup failed for [rms reference out rmsd_MUT.dat :1-249 @N,CA,C time 10.00]: Skipping ----- prod.mdcrd (1-212, 1) ----- 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete. ----- prod1.mdcrd (1-1749, 1) ----- 0% 10%