AMBER Archive (2006)

Subject: AMBER: anal vs sander

From: Piotr Cieplak (cieplak_at_cgl.ucsf.edu)
Date: Fri Jan 27 2006 - 14:58:39 CST

I have a question concerning gb calculations.
I minimized a protein using infinite cutoff , and igb=2 (gb/sa + saltcon=0.2)
and then the last structure I reanalized using ANAL program..
For this given particular structure I got all energy components the same
besides 1-4 elstat and elstat , which in the case of GB/SA were 4 times larger values.
  
I used in both cases the same cutoff. And I know that anal is decomissioned...
 
Piotr
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