diff --git a/examples/add_molecules/shake_mil.top b/examples/add_molecules/shake_mil.top new file mode 100644 index 0000000..21e4486 --- /dev/null +++ b/examples/add_molecules/shake_mil.top @@ -0,0 +1,182 @@ +SHAKE 180 180 0 + 37 38 0.963983951706 + 39 40 0.963983951706 + 41 42 0.963983951706 + 43 44 0.963983951706 + 45 46 0.963983951706 + 47 48 0.963983951706 + 49 50 0.963983951706 + 51 52 0.963983951706 + 53 54 0.963983951706 + 55 56 0.963983951706 + 57 58 0.963983951706 + 59 60 0.963983951706 + 61 62 0.963983951706 + 63 64 0.963983951706 + 65 66 0.963983951706 + 67 68 0.963983951706 + 69 70 0.963983951706 + 71 72 0.963983951706 + 73 74 0.963983951706 + 75 76 0.963983951706 + 77 78 0.963983951706 + 79 80 0.963983951706 + 81 82 0.963983951706 + 83 84 0.963983951706 + 85 86 0.963983951706 + 87 88 0.963983951706 + 89 90 0.963983951706 + 91 92 0.963983951706 + 93 94 0.963983951706 + 95 96 0.963983951706 + 97 98 0.963983951706 + 99 100 0.963983951706 + 101 102 0.963983951706 + 103 104 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