Re: How can I specify an exact initial velocity?

From: wayj86 wayj86 (wayj86_at_gmail.com)
Date: Tue Nov 04 2008 - 20:01:09 CST

Hi Jerome,

I am trying to simulate the binding process. I want to specify an initial
velocity (not a force) to the ligand and drive to it move towards the
receptor. Do you think it is
rational?

Best wishes,
Stanley

2008/11/4 Jerome Henin <jhenin_at_cmm.chem.upenn.edu>

> Hi,
> So, you run crash tests for proteins, is that it?
>
> Seriously though, I think most people cannot see why one would want to
> do this. Maybe you need to tell us a little bit more about what you
> are trying to simulate (the big picture) - that will help people give
> you the right advice.
>
> Best,
> Jerome
>
> On Tue, Nov 4, 2008 at 3:29 AM, wayj86 wayj86 <wayj86_at_gmail.com> wrote:
> > Hi everyone,
> >
> > I am trying to specify an exact initial velocity along x axis (100A/ns)
> to
> > the whole protein (150 residues) to make it move along the x axis after
> it
> > was equilibrated in periodic boundary condition. So what shall I do?
> Thank
> > you very much for any help.
> >
> > --
> > The future is now!
> >
>

-- 
The future is now!

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