How about using vmd selection "within" to do this
> 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
