Now, did you try searching the mailing lists before asking this? This question pops up once a week or so. Check the archives: the truth is out there.
/Erik Dechang Li skrev: >> 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] >>> ========================================= >>> >>> >> ------------------------------ >> > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- ----------------------------------------------- Erik Marklund, PhD student Laboratory of Molecular Biophysics, Dept. of Cell and Molecular Biology, Uppsala University. Husargatan 3, Box 596, 75124 Uppsala, Sweden phone: +46 18 471 4537 fax: +46 18 511 755 [EMAIL PROTECTED] http://xray.bmc.uu.se/molbiophys _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
