Re: heating and binvelocities

From: Jim Phillips (
Date: Fri Aug 06 2010 - 09:30:38 CDT

That's one way to do it, but you would still need to specify an initial
temperature if you don't provide initial velocities. You could also use
langevin or another temperature control to heat the system gradually.


On Tue, 3 Aug 2010, Dhiraj Srivastava wrote:

> Hi All
> If I am heating the system, then should I comment out "binVelocities"
> and use "reinitvels"?
> Thanks
> Dhiraj

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