can you tell this with the help of the command.... that will be more useful<br><br>Regards<br>Vinoth<br><br><div class="gmail_quote">On Fri, Sep 24, 2010 at 12:58 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;">Use genconf to replicate some suitable smaller box of decane to the full size, delete the second half of the decane molecules, then use genbox to fill the rest with water. Cunning use of genconf should allow you to select where the division lies.<br>
<br>Mark<div><div></div><div class="h5"><br><br>----- Original Message -----<br>From: vinothkumar mohanakrishnan <<a href="mailto:kmvinoth@gmail.com" target="_blank">kmvinoth@gmail.com</a>><br>Date: Friday, September 24, 2010 17:22<br>
Subject: [gmx-users] Reg: Putting molecules on one side of the box<br>To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>><br><br><font style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">> </font>Hi all<br>
<font style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">> </font><br><font style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">> </font>I have a triclinic box of length of 8*3*3 nm. i want to put water on one side of the box and say decane on the other side of the box. How to generate .gro for the water-decane mixture such that they form two distinct parts of the box.<br>
<font style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">> </font><br><font style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">> </font>Regards<br>
<font style="font-style: normal; font-weight: normal; background-color: rgb(245, 248, 240); font-size: 14px;">> </font>Vinoth<br></div></div> > -- <br>> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
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