AMBER Archive (2005)

Subject: Re: AMBER: STARTING WHERE I LEFT OFF

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Sat Sep 03 2005 - 13:12:40 CDT

> 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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