> >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: [email protected] >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" <[email protected]> >> 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 [email protected] 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
