AMBER Archive (2004)

Subject: AMBER: Box information from Amber

From: Priti Hansia (
Date: Sat Oct 09 2004 - 06:19:46 CDT

Hi all,

I have simulated a protein with 326 residues and around 15000 water
molecules. The box information which I get from amber PDBs does not match
with the box infromation given in crd or en files. For example, the box
size for a particular snapshot is 73.87 76.38 86.45 from crd files, but
the distance between two furthest atoms is seen to be around 120 angstrom.
Can you please help me out of this problem ?

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