Dear Amber users,
I am simulating enzyme in its bound and unbound states. I calculated the PCs for both systems and I am trying to use RMSIP to quantify differences of energy landscape for the two systems using first 10 PCs. I tried to read amber archive and literature, however I couldn't find a way. I tried to used modes of cpptraj, but with no succes. I was wondering, is there a way to calculate RMSIP for the energy differences.
Thank you, indeed
WaleedÂ
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Received on Thu Apr 15 2021 - 21:30:02 PDT
