CPPTRAJ: Trajectory Analysis. V15.00 ___ ___ ___ ___ | \/ | \/ | \/ | _|_/\_|_/\_|_/\_|_ | Date/time: 02/10/16 13:33:56 | Available memory: 37780.9 MB INPUT: Reading Input from file pt-prepare.in [parm ../../../tip3p/ff12sb/run1/build/full.topo.hmr] Reading '../../../tip3p/ff12sb/run1/build/full.topo.hmr' as Amber Topology [trajin ../ctraj.c1 start 1 stop 1] Reading '../ctraj.c1' as Amber NetCDF [trajout firstframe.crds restart] Writing 'firstframe.crds' as Amber Restart ---------- RUN BEGIN ------------------------------------------------- PARAMETER FILES: 0: 'full.topo.hmr', 3301 atoms, 1088 res, box: Orthogonal, 1087 mol, 1075 solvent, 1 frames INPUT TRAJECTORIES: 0: 'ctraj.c1' is a NetCDF AMBER trajectory, Parm full.topo.hmr (Orthogonal box) (reading 1 of 49913) Coordinate processing will occur on 1 frames. OUTPUT TRAJECTORIES: 'firstframe.crds' is an AMBER restart file, Parm full.topo.hmr: Writing 1 frames (1-Last, 1) TIME: Run Initialization took 0.0000 seconds. BEGIN TRAJECTORY PROCESSING: ----- ctraj.c1 (1-1, 1) ----- 100% Complete. Read 1 frames and processed 1 frames. TIME: Trajectory processing: 0.3200 s TIME: Avg. throughput= 3.1246 frames / second. ACTION OUTPUT: ---------- RUN END --------------------------------------------------- TIME: Total execution time: 0.3480 seconds. -------------------------------------------------------------------------------- To cite CPPTRAJ use: Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data". J. Chem. Theory Comput., 2013, 9 (7), pp 3084-3095.