[gmx-users] Re: the number of water molecules

Jian Zou jianzou at gmail.com
Mon Apr 21 16:43:27 CEST 2008


How about using vmd selection "within" to do this

>  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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