###################################################################### ########################################################################## ### ### ### Tinker --- Software Tools for Molecular Design ### ## ## ## Version 8.10.5 February 2023 ## ## ## ## Copyright (c) Jay William Ponder 1990-2023 ## ### All Rights Reserved ### ### ### ########################################################################## ###################################################################### Number of Torsions Used in Derivative Computation : 7 Generating Seed Point for Potential Energy Surface Scan Potential Surface Map Minimum 1 -15.5796 Normal Mode Local Search Minimum 1 Search Direction 1 Step 18 -9.8430 Potential Surface Map Minimum 2 -9.8430 Search Direction 2 Step 18 -9.8430 Search Direction 3 Step 17 -13.5942 Potential Surface Map Minimum 3 -13.5942 Search Direction 4 Step 22 -13.5942 Search Direction 5 Step 13 -15.5796 Search Direction 6 Step 12 -15.5796 Search Direction 7 Step 24 -14.4419 Potential Surface Map Minimum 4 -14.4419 Search Direction 8 Step 29 -16.4958 Potential Surface Map Minimum 5 -16.4958 Search Direction 9 Step 13 -16.4958 Search Direction 10 Step 23 -15.5796 Normal Mode Local Search Minimum 2 Search Direction 1 Step 17 -15.5796 Search Direction 2 Step 13 -9.8430 Search Direction 3 Step 22 -8.1034 Potential Surface Map Minimum 6 -8.1034 Search Direction 4 Step 17 -8.1034 Search Direction 5 Step 35 -12.2126 Potential Surface Map Minimum 7 -12.2126 Search Direction 6 Step 17 -9.8430 Search Direction 7 Step 12 -9.8430 Search Direction 8 Step 12 -9.8430 Search Direction 9 Step 17 -12.2126 Search Direction 10 Step 24 -9.8430 Normal Mode Local Search Minimum 3 Search Direction 1 Step 22 -16.4958 Search Direction 2 Step 13 -13.5942 Search Direction 3 Step 18 -8.0793 Potential Surface Map Minimum 8 -8.0793 Search Direction 4 Step 18 -8.1034 Search Direction 5 Step 31 -16.4958 Search Direction 6 Step 16 -13.5942 Search Direction 7 Step 12 -13.5942 Search Direction 8 Step 12 -13.5942 Search Direction 9 Step 24 -2.6724 Potential Surface Map Minimum 9 -2.6724 Search Direction 10 Step 33 -13.5942 Normal Mode Local Search Minimum 4 Search Direction 1 Step 9 -16.4958 Search Direction 2 Step 32 -12.2126 Search Direction 3 Step 29 -4.7073 Potential Surface Map Minimum 10 -4.7073 Search Direction 4 Step 28 -4.6395 Potential Surface Map Minimum 11 -4.6395 Search Direction 5 Step 35 -12.2126 Search Direction 6 Step 41 -12.2126 Search Direction 7 Step 14 -14.4419 Search Direction 8 Step 15 -14.4419 Search Direction 9 Step 34 -14.4419 Search Direction 10 Step 38 -14.4419 Normal Mode Local Search Minimum 5 Search Direction 1 Step 39 -12.2126 Search Direction 2 Step 11 -16.4958 Search Direction 3 Step 21 -13.2022 Potential Surface Map Minimum 12 -13.2022 Search Direction 4 Step 36 -8.0520 Potential Surface Map Minimum 13 -8.0520 Search Direction 5 Step 19 -16.4958 Search Direction 6 Step 43 -6.4833 Potential Surface Map Minimum 14 -6.4833 Search Direction 7 Step 11 -16.4958 Search Direction 8 Step 12 -16.4958 Search Direction 9 ------ Search Direction 10 Step 59 -16.4958 Normal Mode Local Search Minimum 6 Search Direction 1 Step 20 -9.8430 Search Direction 2 Step 13 -8.1034 Search Direction 3 Step 15 -8.1034 Search Direction 4 Step 17 -13.5942 Search Direction 5 Step 35 -12.2126 Search Direction 6 Step 17 -8.1034 Search Direction 7 Step 13 -8.1034 Search Direction 8 Step 12 -8.1034 Search Direction 9 Step 35 -8.0793 Search Direction 10 Step 24 -1.1992 Potential Surface Map Minimum 15 -1.1992 Normal Mode Local Search Minimum 7 Search Direction 1 Step 19 -16.4958 Search Direction 2 Step 17 -12.2126 Search Direction 3 Step 22 -8.0520 Search Direction 4 Step 23 -8.0520 Search Direction 5 Step 19 -12.2126 Search Direction 6 Step 37 -12.2126 Search Direction 7 Step 12 -12.2126 Search Direction 8 Step 12 -12.2126 Search Direction 9 Step 19 -12.2126 Search Direction 10 Step 16 -12.2126 Normal Mode Local Search Minimum 8 Search Direction 1 Step 15 -8.0793 Search Direction 2 Step 19 -12.2126 Search Direction 3 Step 17 -8.1034 Search Direction 4 Step 16 -13.5942 Search Direction 5 Step 12 -8.0793 Search Direction 6 Step 12 -8.0793 Search Direction 7 Step 31 -8.1034 Search Direction 8 Step 15 -8.1034 Search Direction 9 Step 17 -1.1992 Search Direction 10 Step 33 -8.1034 Normal Mode Local Search Minimum 9 Search Direction 1 Step 15 -13.2022 Search Direction 2 Step 14 -4.6395 Search Direction 3 Step 15 -4.7073 Search Direction 4 Step 37 -12.2126 Search Direction 5 Step 28 -14.4419 Search Direction 6 Step 29 -14.4419 Search Direction 7 Step 38 -8.0793 Search Direction 8 Step 36 -8.0793 Search Direction 9 Step 19 -2.6724 Search Direction 10 Step 31 -13.2022 Normal Mode Local Search Minimum 10 Search Direction 1 Step 16 -2.0823 Potential Surface Map Minimum 16 -2.0823 Search Direction 2 Step 13 -2.6724 Search Direction 3 Step 20 1.2786 Potential Surface Map Minimum 17 1.2786 Search Direction 4 Step 19 1.2786 Search Direction 5 Step 22 -14.4419 Search Direction 6 Step 22 -14.4419 Search Direction 7 Step 14 -4.7073 Search Direction 8 Step 12 -4.7073 Search Direction 9 Step 23 -8.0659 Potential Surface Map Minimum 18 -8.0659 Search Direction 10 Step 18 -7.3462 Potential Surface Map Minimum 19 -7.3462 Normal Mode Local Search Minimum 11 Search Direction 1 Step 11 -8.0659 Search Direction 2 Step 37 -8.1034 Search Direction 3 Step 17 -4.7073 Search Direction 4 Step 16 -4.6395 Search Direction 5 Step 18 -14.4419 Search Direction 6 Step 17 -14.4419 Search Direction 7 Step 24 -8.0520 Search Direction 8 Step 49 -8.0520 Search Direction 9 Step 17 -4.7073 Search Direction 10 Step 19 -7.3462 Normal Mode Local Search Minimum 12 Search Direction 1 Step 18 -8.0793 Search Direction 2 Step 19 -8.1034 Search Direction 3 Step 18 -16.4958 Search Direction 4 Step 18 -16.4958 Search Direction 5 Step 11 -13.2022 Search Direction 6 Step 11 -13.2022 Search Direction 7 Step 52 -2.6724 Search Direction 8 Step 20 -13.2022 Search Direction 9 Step 12 -13.5942 Search Direction 10 Step 23 -13.2022 Normal Mode Local Search Minimum 13 Search Direction 1 Step 12 -8.0520 Search Direction 2 Step 16 -8.1034 Search Direction 3 Step 18 -8.0659 Search Direction 4 Step 22 -8.0659 Search Direction 5 Step 19 -12.2126 Search Direction 6 Step 19 -12.2126 Search Direction 7 Step 29 -4.6395 Search Direction 8 Step 45 2.4960 Potential Surface Map Minimum 20 2.4960 Search Direction 9 Step 20 -8.0520 Search Direction 10 Step 14 -8.0520 Normal Mode Local Search Minimum 14 Search Direction 1 Step 14 -12.2126 Search Direction 2 Step 12 -12.2126 Search Direction 3 Step 29 1.2786 Search Direction 4 Step 17 1.2786 Search Direction 5 Step 24 -16.4958 Search Direction 6 Step 24 -15.5796 Search Direction 7 Step 44 -12.2126 Search Direction 8 Step 22 -6.4833 Search Direction 9 Step 16 -4.5084 Potential Surface Map Minimum 21 -4.5084 Search Direction 10 Step 18 -6.4833 Normal Mode Local Search Minimum 15 Search Direction 1 Step 7 -1.1992 Search Direction 2 Step 14 -8.1034 Search Direction 3 Step 22 -4.5084 Search Direction 4 Step 12 -1.1992 Search Direction 5 Step 23 -13.5942 Search Direction 6 Step 23 -13.5942 Search Direction 7 Step 14 -1.1992 Search Direction 8 ------ Search Direction 9 Step 39 -1.1992 Search Direction 10 Step 16 -1.1992 Normal Mode Local Search Minimum 16 Search Direction 1 Step 19 -14.4419 Search Direction 2 Step 18 -14.4419 Search Direction 3 Step 17 -2.5235 Potential Surface Map Minimum 22 -2.5235 Search Direction 4 Step 17 -2.5235 Search Direction 5 Step 24 -6.4833 Search Direction 6 ------ Search Direction 7 Step 12 -2.0823 Search Direction 8 Step 12 -2.0823 Search Direction 9 Step 19 -13.2022 Search Direction 10 Step 20 -13.2022 Normal Mode Local Search Minimum 17 Search Direction 1 Step 10 -1.1992 Search Direction 2 Step 11 -8.0520 Search Direction 3 Step 12 -8.0520 Search Direction 4 Step 17 -8.0520 Search Direction 5 Step 33 -4.5084 Search Direction 6 Step 15 1.2786 Search Direction 7 Step 17 1.2786 Search Direction 8 Step 28 -8.0520 Search Direction 9 Step 17 1.2786 Search Direction 10 Step 40 -4.5084 Normal Mode Local Search Minimum 18 Search Direction 1 Step 12 -13.5942 Search Direction 2 Step 18 -13.2022 Search Direction 3 Step 17 -8.0520 Search Direction 4 Step 17 -8.0520 Search Direction 5 Step 19 -16.4958 Search Direction 6 Step 21 -15.5796 Search Direction 7 Step 12 -8.0659 Search Direction 8 Step 12 -8.0659 Search Direction 9 Step 26 -7.3462 Search Direction 10 Step 21 -7.3462 Normal Mode Local Search Minimum 19 Search Direction 1 Step 29 -13.5942 Search Direction 2 Step 9 -13.5942 Search Direction 3 Step 17 -8.0520 Search Direction 4 Step 17 -8.0520 Search Direction 5 Step 21 -15.5796 Search Direction 6 Step 21 -16.4958 Search Direction 7 Step 17 -7.3462 Search Direction 8 Step 36 -8.0659 Search Direction 9 Step 20 -4.6395 Search Direction 10 Step 9 -8.0659 Normal Mode Local Search Minimum 20 Search Direction 1 Step 10 1.2786 Search Direction 2 Step 33 -7.3462 Search Direction 3 Step 12 1.2786 Search Direction 4 Step 32 -9.8430 Search Direction 5 Step 19 -8.0520 Search Direction 6 Step 19 2.4960 Search Direction 7 Step 24 1.2786 Search Direction 8 Step 16 -8.0520 Search Direction 9 Step 29 -8.0520 Search Direction 10 Step 24 1.2786 Normal Mode Local Search Minimum 21 Search Direction 1 Step 10 -12.2126 Search Direction 2 Step 11 -12.2126 Search Direction 3 Step 23 -2.5235 Search Direction 4 Step 17 -2.5235 Search Direction 5 Step 37 -16.4958 Search Direction 6 Step 21 -16.4958 Search Direction 7 Step 46 -6.4833 Search Direction 8 Step 17 -4.5084 Search Direction 9 Step 34 -6.4833 Search Direction 10 Step 26 -6.4833 Normal Mode Local Search Minimum 22 Search Direction 1 Step 19 -8.0793 Search Direction 2 Step 24 -8.1034 Search Direction 3 Step 17 -4.5084 Search Direction 4 Step 21 -4.5084 Search Direction 5 Step 22 -13.2022 Search Direction 6 Step 25 -13.2022 Search Direction 7 Step 13 -1.1992 Search Direction 8 Step 22 1.2786 Search Direction 9 Step 13 -2.5235 Search Direction 10 Step 12 -2.5235