set sel [atomselect $molid "selection"]
for {set iframe 0} {$iframe < $nframe} {incr iframe} {
$sel frame $iframe
$sel update
$sel get {the property you want}
}
you may go to vmd mailing list for more details.
> Message: 1
> Date: Tue, 22 Apr 2008 10:42:56 +0800
> From: Dechang Li <[EMAIL PROTECTED]>
> Subject: [gmx-users] Re: the number of water molecules (Jian Zou)
> To: "gmx-users@gromacs.org" <gmx-users@gromacs.org>
> Message-ID: <[EMAIL PROTECTED]>
> Content-Type: text/plain; charset="gb2312"
>
>
> >
> >Message: 2
> >Date: Mon, 21 Apr 2008 10:43:27 -0400
> >From: "Jian Zou" <[EMAIL PROTECTED]>
> >Subject: [gmx-users] Re: the number of water molecules
> >To: gmx-users@gromacs.org
> >Message-ID:
> > <[EMAIL PROTECTED]>
> >Content-Type: text/plain; charset=ISO-8859-1
> >
> >How about using vmd selection "within" to do this
>
> I have tried this. However, vmd can tell me the number in this
> frame, but there are about 5000 frames! I am tring to write a script
> to let vmd explore the results to a file VS. frames. If I make
> any progress, let you know. ^_^
>
>
> >
> >> Message: 3
> >> Date: Sun, 20 Apr 2008 21:01:57 +0800
> >> From: Dechang Li <[EMAIL PROTECTED]>
> >> Subject: [gmx-users] the number of water molecules
> >> To: "gmx-users" <gmx-users@gromacs.org>
> >> Message-ID: <[EMAIL PROTECTED]>
> >> Content-Type: text/plain; charset="gb2312"
> >>
> >> Dear all,
> >>
> >> How can I calculate the number of water molecules around the
> >> protein with a distance about 5 angstrom? Is that possible in
> >> Gromacs?
> >>
> >>
> >>
> >> Best regards,
> >>
> >> 2008-4-20
> >>
> >>
> >> =========================================
> >> Dechang Li, PhD Candidate
> >> Department of Engineering Mechanics
> >> Tsinghua University
> >> Beijing 100084
> >> PR China
> >>
> >> Tel: +86-10-62773779(O)
> >> Email: [EMAIL PROTECTED]
> >> =========================================
> >>
> >
> >
> >------------------------------
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