******************************************************************************** REPLICA #0 (temp0 = 320.000) MDIN = 'mdin.3' NCSU : () () () () () () () () () () A. B. M. D. () () () () () () () () () NCSU : NCSU : mode = FLOODING NCSU : NCSU : CV #1 NCSU : type = 'R_OF_GYRATION' NCSU : atoms = (1 [N], 5 [CA], 8 [C], 10 [N], 12 [CA], NCSU : 29 [C], 31 [N], 33 [CA], 41 [C], 43 [N], NCSU : 53 [CA], 55 [C], 57 [N], 59 [CA], 70 [C], NCSU : 72 [N], 74 [CA], 84 [C], 86 [N], 88 [CA], NCSU : 91 [C], 93 [N], 95 [CA], 105 [C], 107 [N], NCSU : 109 [CA], 129 [C], 131 [N], 133 [CA], 136 [C]) NCSU : NCSU : monitor_file = abmd.3.txt NCSU : monitor_freq = 3 (0.0060 ps) NCSU : umbrella_file = umbrella.3.nc (not found) NCSU : NCSU : umbrella discretization (new) : NCSU : CV #1 not periodic, 97 points, min/max = 0.000000/12.000000 NCSU : NCSU : flooding timescale = 4.000 ps NCSU : NCSU : () () () () () () () () () () () () () () () () () () () () () () () () ******************************************************************************** REPLICA #1 (temp0 = 300.000) MDIN = 'mdin.1' NCSU : () () () () () () () () () () A. B. M. D. () () () () () () () () () NCSU : NCSU : mode = FLOODING NCSU : NCSU : CV #1 NCSU : type = 'R_OF_GYRATION' NCSU : atoms = (1 [N], 5 [CA], 8 [C], 10 [N], 12 [CA], NCSU : 29 [C], 31 [N], 33 [CA], 41 [C], 43 [N], NCSU : 53 [CA], 55 [C], 57 [N], 59 [CA], 70 [C], NCSU : 72 [N], 74 [CA], 84 [C], 86 [N], 88 [CA], NCSU : 91 [C], 93 [N], 95 [CA], 105 [C], 107 [N], NCSU : 109 [CA], 129 [C], 131 [N], 133 [CA], 136 [C]) NCSU : NCSU : monitor_file = abmd.1.txt NCSU : monitor_freq = 1 (0.0020 ps) NCSU : umbrella_file = umbrella.1.nc (not found) NCSU : NCSU : umbrella discretization (new) : NCSU : CV #1 not periodic, 97 points, min/max = 0.000000/12.000000 NCSU : NCSU : flooding timescale = 1.000 ps NCSU : NCSU : () () () () () () () () () () () () () () () () () () () () () () () () ******************************************************************************** REPLICA #2 (temp0 = 330.000) MDIN = 'mdin.4' NCSU : () () () () () () () () () () A. B. M. D. () () () () () () () () () NCSU : NCSU : mode = FLOODING NCSU : NCSU : CV #1 NCSU : type = 'R_OF_GYRATION' NCSU : atoms = (1 [N], 5 [CA], 8 [C], 10 [N], 12 [CA], NCSU : 29 [C], 31 [N], 33 [CA], 41 [C], 43 [N], NCSU : 53 [CA], 55 [C], 57 [N], 59 [CA], 70 [C], NCSU : 72 [N], 74 [CA], 84 [C], 86 [N], 88 [CA], NCSU : 91 [C], 93 [N], 95 [CA], 105 [C], 107 [N], NCSU : 109 [CA], 129 [C], 131 [N], 133 [CA], 136 [C]) NCSU : NCSU : monitor_file = abmd.4.txt NCSU : monitor_freq = 5 (0.0100 ps) NCSU : umbrella_file = umbrella.4.nc (not found) NCSU : NCSU : umbrella discretization (new) : NCSU : CV #1 not periodic, 97 points, min/max = 0.000000/12.000000 NCSU : NCSU : flooding timescale = 1.000 ps NCSU : NCSU : () () () () () () () () () () () () () () () () () () () () () () () () ******************************************************************************** REPLICA #3 (temp0 = 310.000) MDIN = 'mdin.2' NCSU : () () () () () () () () () () A. B. M. D. () () () () () () () () () NCSU : NCSU : mode = FLOODING NCSU : NCSU : CV #1 NCSU : type = 'R_OF_GYRATION' NCSU : atoms = (1 [N], 5 [CA], 8 [C], 10 [N], 12 [CA], NCSU : 29 [C], 31 [N], 33 [CA], 41 [C], 43 [N], NCSU : 53 [CA], 55 [C], 57 [N], 59 [CA], 70 [C], NCSU : 72 [N], 74 [CA], 84 [C], 86 [N], 88 [CA], NCSU : 91 [C], 93 [N], 95 [CA], 105 [C], 107 [N], NCSU : 109 [CA], 129 [C], 131 [N], 133 [CA], 136 [C]) NCSU : NCSU : monitor_file = abmd.2.txt NCSU : monitor_freq = 2 (0.0040 ps) NCSU : umbrella_file = umbrella.2.nc (not found) NCSU : NCSU : umbrella discretization (new) : NCSU : CV #1 not periodic, 97 points, min/max = 0.000000/12.000000 NCSU : NCSU : flooding timescale = 2.000 ps NCSU : NCSU : () () () () () () () () () () () () () () () () () () () () () () () () ********************************************************************************