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.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
>
> -------------------------------------------------------------------
> ----
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon May 30 2005 - 12:53:01 PDT
