AMBER Archive (2007)

Subject: AMBER: ele vs van der Waals

From: backy (backy_at_ibms.sinica.edu.tw)
Date: Thu Nov 29 2007 - 03:14:19 CST


Hi, AMBER users:
For a given protein, I tried to decompose it for getting the energy contributed by each comprising residue.
But within this decomposed protein, it seems that for a given residue with higher electrostatic energy was accompanying with a higher van der waals energy. It is normal?
Thanks.

backy

 

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