AMBER Archive (2009)

Subject: [AMBER] about mm-pbsa

From: 廖青华 (fantastic_0919_at_yahoo.com.cn)
Date: Mon Mar 23 2009 - 04:10:29 CDT

Hi amber users,
I encountered a problem that I could't get it down when running mm-pbsa, so I ask you for help. Does anybody know that what's the exact reason when the error shows in the terminal window like the following lines?
 
vertex atom mismatch
       atom: 51
vertex atom: 49
vertex atom mismatch
       atom: 51
vertex atom: 49
 
 
Any reply will be appreciated!
 
Best wishes!
 
Qinghua Liao

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