File: Esander.dat.save

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#Frame       S[total]       S[vdw]      S[elec]      S[bond]     S[angle]  S[dihedral]     S[vdw14]    S[elec14]
       1  -18095.5918    2502.5936  -21563.5670      35.4705      93.3672     123.6395      46.9354     665.9690
       2  -18032.9144    2455.6270  -21457.2687      47.5936     101.2947     125.3715      38.6891     655.7783
       3  -18096.0464    2518.4931  -21591.4285      41.2026     111.4593     137.7342      43.2846     643.2083
       4  -18111.8468    2526.1098  -21606.9431      44.1614      96.1412     128.5231      45.6698     654.4909
       5  -18123.5386    2570.6484  -21667.5373      41.4961     105.7385     123.7398      44.6249     657.7510
       6  -18159.2879    2533.3752  -21652.2187      37.8556      97.2202     126.4595      44.7027     653.3176
       7  -18218.3013    2572.0340  -21749.7182      45.6627     101.9210     119.0334      41.7585     651.0073
       8  -18176.6228    2561.9607  -21684.0738      35.2119      97.3884     121.5698      45.7198     645.6003
       9  -18193.0210    2456.2484  -21601.3183      41.3678      80.6073     123.6050      45.8977     660.5711
      10  -18142.4598    2491.7149  -21622.6568      43.8534     114.4428     127.4284      44.5121     658.2454