protein moves away from water box

From: Shirley Li (li19104_at_yahoo.com)
Date: Fri May 05 2006 - 14:25:40 CDT

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Dear NAMD expert,
 
 As my MD simulation goes along (very long), several residues of the protein move out of water box. Is it appropriate to simply shift the box of water, and then minimize the entire system? Is there good solution with NAMD tools? In my script file, both wrapAll and wrapNearest are turned on.
 
 Any comments/info will be greatly appreciated.
 
 Shirley
 
                
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