# Log file for summarize_Sugr-Bak_rmsd for site 14 begun at 02:06:29, Thursday, 31 December, 2014 # # The contents of the input file follow. # # #!/bin/bash # # # This is the setup file for making cpptraj input files for analyzing all the # # data from these runs. # # ## First, indicate which run this is # # # IAM="0MA" # 0VA is glycam-speak for alpha-D-galnac # # ## Now, some info about the runs # MAXRUNS=36 # The total number of simulations performed # SETS=1 # How many duplicate sets? # SETSIZE=36 # How large was each set (should be MAXRUNS/SETS) # # # The runset identity is d4m NR is 36 ; NS is 36 ; SETS is 1 ============================================================ ========= Information regarding numbers of frames ========= ============================================================ Structure Index Frames Overall Run 1 Run 2 Run 3 Run 4 Run 5 Run 6 Run 7 Run 8 Run 9 Run 10 Run 11 Run 12 Run 13 Run 14 Run 15 Run 16 Run 17 Run 18 Run 19 Run 20 Run 21 Run 22 Run 23 Run 24 Run 25 Run 26 Run 27 Run 28 Run 29 Run 30 Run 31 Run 32 Run 33 Run 34 Run 35 Run 36 1 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 2 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 3 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 4 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 5 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 6 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 7 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 8 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 9 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 10 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 11 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 12 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 13 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 14 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 15 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 16 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 17 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 18 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 19 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 20 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 21 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 22 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 23 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 24 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 25 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 26 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 27 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 28 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 29 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 30 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 31 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 32 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 33 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 34 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 35 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504 36 355642 9943 9953 9929 9949 9938 9950 9920 9963 9950 9941 9961 9927 9924 9954 9947 9298 9915 9935 9913 9936 9952 9915 9951 9923 9953 9931 9911 9930 9910 9906 9931 9946 9692 10935 10206 7504