you need a velocity trajectory file if you want velocities. did you
write one?
if not you can use the coordinates and reassign the velocities using tempi.
Weihua Li wrote:
> 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 - 06:07:13 PDT
