[gmx-users] Re: the number of water molecules (Jian Zou)

[Dechang Li]

>
>Message: 2
>Date: Mon, 21 Apr 2008 10:43:27 -0400
>From: "Jian Zou" <jianzou at gmail.com>
>Subject: [gmx-users] Re: the number of water molecules
>To: gmx-users at gromacs.org
>Message-ID:
>	<cacdffa50804210743o24ab6a03m7c9660bd5b0af802 at mail.gmail.com>
>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 <li.dc06 at gmail.com>
>>  Subject: [gmx-users] the number of water molecules
>>  To: "gmx-users" <gmx-users at gromacs.org>
>>  Message-ID: <480b3ecc.25d7720a.4f8d.ffffb16a at mx.google.com>
>>  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: lidc02 at mails.tsinghua.edu.cn
>>  =========================================
>>
>
>
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