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<body class='hmmessage'><div style="text-align: left;"><br></div><br><br><br><hr id="stopSpelling">> Date: Mon, 26 May 2008 12:31:44 +1000<br>> From: Mark.Abraham@anu.edu.au<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] coordinates of the mass center<br>> <br>> yren@home.ipe.ac.cn wrote:<br>> > Dear GMX users:<br>> > I want to calculate the coordinates of the mass center of a protein in<br>> > pdb format. Does anyone know which function in GMX can realize this?<br>> > As far as I know, g_dist offers the distance between mass center of<br>> > two groups without provision mass center of the groups.<br>> <br>> Manual section 8.14 refers to g_coord, but that seems not to exist any<br>> more. g_traj -com will probably work if you use trjconv to convert your<br>> .pdb file to a .trr file<br>> <br>> Mark<br><br>So we should update the manual.<br><br>Note that most tools, including g_traj, can read pdb format directly,<br>so no conversion is required.<br><br>Berk.<br><br><br /><hr />Express yourself instantly with MSN Messenger! <a href='http://clk.atdmt.com/AVE/go/onm00200471ave/direct/01/' target='_new'>MSN Messenger</a></body>
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