You can write this on VMD forum. Anyways you can try by doing this in the Tcl console-<br><br><pre>set sel [atomselect top "solvent"]<br>$sel get {x y z}<br></pre>This would give you the coordinates of the solvent, for your purpose you got to iterate so as to get for each time step.<br>
<br><br>Aiswarya<br>SERC Dept, IISc<br>Bangalore<br><br><br><br><div class="gmail_quote">On Wed, Jan 18, 2012 at 12:06 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div class="im">On 18/01/2012 5:31 PM, Ravi Kumar Venkatraman wrote:<br>
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<br>
Dear All,<br>
I have ran a 10 ns production run for chloranil in 500 methanol solvent box. I want to get the coordinates of solvent and solute at different time steps from the trajectory file (*.xtc). Can anybody tell me how to extract the details using VMD or any other viewer.<br>
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You're unlikely to get help for non-GROMACS software on this mailing list. Check out manual section 7.4 for clues on what GROMACS tools might help, and then section 8 and appendix D for more details.<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
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