Re: [AMBER] FATAL: Could not read velocities from step3.crd

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Fri, 9 Dec 2011 12:02:25 -0800

> temp0 = 300.0,

If you don't do gradual warming, the simulation will likely blow up.
See tutorials for equilibration strategies.

Bill

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Received on Fri Dec 09 2011 - 12:30:02 PST