AMBER: restart file and crd file

From: Lishan Yao <>
Date: 27 Oct 2005 09:37:29 -0400

Dear Amber users:
    I did a 500,000 steps MD simulation and I saved snapshots every 1000
steps. My question is whether the restart file and the last snapshot in
crd (trajectory) file has the same structure? The reason I ask this
question is that I found out water molecules in active site have
different positions in the two structures.

   Thank you in advance.


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Received on Thu Oct 27 2005 - 16:53:01 PDT
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