AMBER Archive (2005)

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

From: Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini) (Stefano.Pieraccini_at_unimi.it)
Date: Mon May 30 2005 - 06:40:59 CDT

Initial velocities are taken from a maxwellian distribution at the
selected initial temperature (tempi=value). If the initial temperature
is set to zero, velocities are calculated from forces instead.

Stefano Pieraccini

----- Original Message -----
From: Ed Pate <pate_at_math.wsu.edu>
Date: Monday, May 30, 2005 4:42 am
Subject: AMBER: question about initial conditions for amber

> 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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