<div class="gmail_quote">I have a question about the g_saltbr output. I looked through the mailing list and could not find a suitable answer. <div><br></div><div>The initial output lists all the charge group i.e.</div><div>
<br></div><div><div>CG: ARG24 Q: 0.07 Atoms: 58 59 60</div>
<div>CG: ARG24 Q: 0.31 Atoms: 61 62 63</div><div>CG: ARG24 Q: 0.38 Atoms: 64 65 66</div><div>CG: ARG24 Q: 0.12 Atoms: 67 68 69</div><div>CG: ARG24 Q: 0.12 Atoms: 70 71 72</div>
<div>CG: ASP28 Q: -0.1 Atoms: 79 80 81</div><div>CG: ASP28 Q: -0.9 Atoms: 82 83 84</div><div>CG: ARG36 Q: 0.07 Atoms: 94 95 96</div><div>CG: ARG39 Q: 0.31 Atoms: 97 98 99</div>
<div>CG: ARG42 Q: 0.38 Atoms: 100 101 102</div><div>CG: ARG45 Q: 0.12 Atoms: 103 104 105</div><div>CG: ARG48 Q: 0.12 Atoms: 106 107 108</div><div>CG: ARG60 Q: 0.07 Atoms: 118 119 120</div>
<div>CG: ARG63 Q: 0.31 Atoms: 121 122 123</div><div><br></div><div>In some cases it lists 4 charge groups for ARG (i.e. ARG24) and in others it list 1 charge group (i.e. ARG 36). Why is this?</div><div><br></div>
<div>Thanks,</div><div class="im"><div><br></div><div>Ilya</div><div><br></div><div><br></div><br>-- <br>Ilya Chorny Ph.D.<br><br>
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</div><br><br clear="all"><br>-- <br>Ilya Chorny Ph.D.<br><br>