******************************************************************************** REPLICA #0 (temp0 = 320.000) MDIN = 'mdin.3' NCSU : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ P I N N E D M.D. ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ NCSU : NCSU : output_file = pmd.3.txt NCSU : output_freq = 1 (0.0020 ps) NCSU : NCSU : CV #1 << anchor : position = 7.000000, strength = 3.000000 >> 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 : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ******************************************************************************** REPLICA #1 (temp0 = 300.000) MDIN = 'mdin.1' NCSU : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ P I N N E D M.D. ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ NCSU : NCSU : output_file = pmd.1.txt NCSU : output_freq = 1 (0.0020 ps) NCSU : NCSU : CV #1 << anchor : position = 5.000000, strength = 1.000000 >> 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 : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ******************************************************************************** REPLICA #2 (temp0 = 330.000) MDIN = 'mdin.4' NCSU : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ P I N N E D M.D. ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ NCSU : NCSU : output_file = pmd.4.txt NCSU : output_freq = 1 (0.0020 ps) NCSU : NCSU : CV #1 << anchor : position = 8.000000, strength = 4.000000 >> 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 : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ******************************************************************************** REPLICA #3 (temp0 = 310.000) MDIN = 'mdin.2' NCSU : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ P I N N E D M.D. ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ NCSU : NCSU : output_file = pmd.2.txt NCSU : output_freq = 1 (0.0020 ps) NCSU : NCSU : CV #1 << anchor : position = 6.000000, strength = 2.000000 >> 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 : ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ~~ ********************************************************************************