AMBER Archive (2005)

Subject: Re: AMBER: question about initial conditions for amber

From: Stefano Federico Pieraccini (Stefano.Pieraccini_at_unimi.it)
Date: Mon May 30 2005 - 06:44:54 CDT

Initial velocities at the selected initial temperature (tempi=value) are
given according to the maxwellian distribution at that temperature. If
the initial temperature is 0 velocities are calculated from forces
instead.

Stefano Pieraccini

On Mon, 2005-05-30 at 04:42, Ed Pate wrote:
> Amber community:
>
> I have a question about the initial conditions that are used for an Amber
> molecular dynamics simulation. The molecule structure gives you the
> initial position. Is the initial velocity for each atom assumed to be
> zero, or is it taken from some distribution?
>
> Thank you for your help.
>
> Ed Pate
>
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