Dear All,
I am doing analysis of 5 ns trajectories, which I have run using Amber 14. I have calculated hydrogen bond to track all solute-solute and solute-solvent hydrogen bonds using cpptraj. Now I want to plot the distance between these hydrogen bond vs time.
SolventAcc THA_533.H13 THA_533.N27 7451 0.2980 2.8909 154.2805
In above pasted cpptraj hydrogen bond result, solvent is making hydrogen bond with THA (ligand). For running distance command, I will mention 533.N27 for ligand but for solvent Acc I do not know the number. So Kindly tell me how can I able to plot distance vs time for these two ligand and solvent atoms.
Thank you.
Best Regards, Saman Yousuf Ali
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Received on Sun Apr 17 2016 - 00:00:03 PDT
