hey...i think trjconv used with options -center tric/rect/zero -pbc whole should work.<br>u can make an index file with a group that contains whatever atom u want the system to be centered around.<br> u can choose this center atom group while using index file along with the above command.
<br><br>karan<br><br><div class="gmail_quote">On Nov 21, 2007 3:18 PM, pragya chohan <<a href="mailto:pragyachohan@hotmail.com">pragyachohan@hotmail.com</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>hi .... i want to wrap my lipid in water... which centres the lipid in water. I know a command for this in amber (iwrap ). Is there a corresponding command in gromacs<br>thanks for your help<br>Pragya Chohan<br><br>_________________________________________________________________
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