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On 19/08/2011 12:43 AM, shikha nangia wrote:
<blockquote
cite="mid:1313678608.92520.YahooMailNeo@web36902.mail.mud.yahoo.com"
type="cite">
<div style="color: rgb(0, 0, 0); background-color: rgb(255, 255,
255); font-family: times new roman,new york,times,serif;
font-size: 12pt;"><font color="#ff0000"><span style="color:
rgb(0, 0, 0);">Dear </span><span style="color: rgb(0, 0,
0);">all</span>: <span style="color: rgb(0, 0, 0);"><br>
<br>
I would like to create a smaller simulation box (from a
larger simulation box in .gro file) by removing atoms in the
x, y and z-directions and saving the subset system into a
new .gro file (smaller box and subset of molecules)<br>
<br>
For example: from original box 10x10x10 nm3 write
coordinates of the atoms that form 5x5x 5 nm3 core of the
larger cube.<br>
<br>
</span></font><font color="#ff0000"><span style="color: rgb(0,
0, 0);">I tried editconf and trjconv but they both do not
have any such option.</span></font> <font color="#ff0000"><span
style="color: rgb(0, 0, 0);">Is there another utility in
gromcas that can do this?<br>
</span></font></div>
</blockquote>
<br>
No. You would need to write a script to do this.<br>
<br>
The vast majority of existing tools work "from the ground up"
because that is the normal scenario. I suggest you explore how to
work in that way.<br>
<br>
Mark<br>
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