Hello all,<br><br>I understand that setting rcoulomb > rlist should give me Coul-LR from the .edr file. But I set rcoulomb = rlist since PME was used to calculate long range electrostatic interactions, and when I tried g_energy, I only have:<br>
<br>58 Coul-SR:Protein-LIG <br> 59 LJ-SR:Protein-LIG 60 LJ-LR:Protein-LIG <br> 61 Coul-14:Protein-LIG 62 LJ-14:Protein-LIG <br><br>So where is Coul-LR? How should I get it?<br>
<br>Thanks,<br>Yun<br>