AMBER: trajout

From: Weihua Li <whli.ecust.gmail.com>
Date: Thu, 7 Sep 2006 11:22:28 +0800

Hi all,
     1)I found that the crd or rst file gotten from trajout has no velocity.
That is to say, I cannot use this rst file to restart my simulation if a
simulation crashed. Is it right?
     2) Provided that I need extract a snopshot from a trajectory file to
minimize, shall I use the crd or rst file?
    Any suggestions are appreciated.

Weihua

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Received on Sun Sep 10 2006 - 06:07:09 PDT
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