Re: AMBER: STARTING WHERE I LEFT OFF

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 3 Sep 2005 11:12:40 -0700 (PDT)

> you can also use ptraj to extract the last frame of the trajectory
> to a restart format and just reinitialize the velocities using either the
> forces or a random number.

In this case you would have to re-equilibrate since you
would be cold-starting at 0K.

Bill
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Received on Sat Sep 03 2005 - 19:53:00 PDT
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