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
