> In theory you could read the mdcrd trajectory file into ptraj
> (tell it the frame you want) and then have it write you a restart file. Note
> though that this trajectory will not be continuous given the fact that you
> will effectively randomize the velocities at this point.
I.e. you will be re-equilibrating.
Bill
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Received on Sun Oct 21 2007 - 06:07:32 PDT
