Re: Fwd: Water Box size

From: L. Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Wed Feb 15 2006 - 12:00:51 CST

Dear Snoze,

It looks like you're enable a flexible cell in your simulation. Try to
check your MD script and disable that option.

Hope it helps,
Michel

2006/2/15, snoze pa <snoze.pa_at_gmail.com>:
> Dear User,
> Any help for my question.
> thanks in advance
> snoze
>
>
> >
> > snoze pa wrote:
> >
> > > Dear NAMD community,
> > > I am doing my simulatin at NPT. My simulation is going fine till
> > > heating. ut for Free MD simulation My water box size is increasing in
> > > one direction. While the postion of the protein remain same. I don't
> > > know what is wrong with this? I am also attaching after 1ns simulation
> > > protein and waterbox snapshot.Here are two snapshot
> > > 1. namdmin.png for after minimization
> > > 2. namd1ns.png is after 1ns free run.
> > > I don't know why my water box size is increasing in one direction.
> > > thanks in advance
> > > snoze
> > >
> > >
> > >
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> > >
> > >
> > >
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> > >
> >
> >
>
>

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