Mercurial > repos > chemteam > gmx_merge_topology_files
view test-data/index.ndx @ 19:17c12d5cb336 draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tree/master/tools/gromacs commit 8660ff51cd1a65b04f862562957592fe152fc81d
author | chemteam |
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date | Tue, 12 Jul 2022 12:44:22 +0000 |
parents | ced8ec975548 |
children |
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[ System ] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 [ Protein ] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 [ Protein-H ] 1 5 7 10 13 16 19 23 24 25 27 29 31 35 39 40 41 43 45 48 49 51 53 55 57 59 60 61 63 66 67 68 70 72 75 78 81 83 84 87 90 91 92 [ C-alpha ] 5 27 43 63 70 [ Backbone ] 1 5 23 25 27 39 41 43 59 61 63 66 68 70 90 [ MainChain ] 1 5 23 24 25 27 39 40 41 43 59 60 61 63 66 67 68 70 90 91 92 [ MainChain+Cb ] 1 5 7 23 24 25 27 29 39 40 41 43 45 59 60 61 63 66 67 68 70 72 90 91 92 [ MainChain+H ] 1 2 3 4 5 23 24 25 26 27 39 40 41 42 43 59 60 61 62 63 66 67 68 69 70 90 91 92 [ SideChain ] 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 28 29 30 31 32 33 34 35 36 37 38 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 64 65 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 [ SideChain-H ] 7 10 13 16 19 29 31 35 45 48 49 51 53 55 57 72 75 78 81 83 84 87 [ Prot-Masses ] 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 [ non-Protein ] 93 94 [ Ion ] 93 94 [ CL ] 93 94