[gmx-users] Reg: Putting molecules on one side of the box

[vinothkumar mohanakrishnan]

can you tell this with the help of the command.... that will be more useful

Regards
Vinoth

On Fri, Sep 24, 2010 at 12:58 PM, Mark Abraham <mark.abraham at anu.edu.au>wrote:

> 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.
>
> Mark
>
>
> ----- Original Message -----
> From: vinothkumar mohanakrishnan <kmvinoth at gmail.com>
> Date: Friday, September 24, 2010 17:22
> Subject: [gmx-users] Reg: Putting molecules on one side of the box
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>
> > Hi all
> >
> > 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.
> >
> > Regards
> > Vinoth
> > --
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://lists.gromacs.org/mailman/listinfo/gmx-users
> > Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> > Please don't post (un)subscribe requests to the list. Use the
> > www interface or send it to gmx-users-request at gromacs.org.
> > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101004/980f4779/attachment.html>