[gmx-users] Reg:Using Trjconv to combine two gro r pdb files

Mark Abraham mark.abraham at anu.edu.au
Mon Oct 25 11:44:02 CEST 2010

----- Original Message -----
From: vinothkumar mohanakrishnan <kmvinoth at gmail.com>
Date: Monday, October 25, 2010 19:31
Subject: [gmx-users] Reg:Using Trjconv to combine two gro r pdb files
To: Discussion list for GROMACS users <gmx-users at gromacs.org>

> Hi gromacians >   > I want to know how in the methanol-water tutorial (http://manual.gromacs.org/current/online/mixed.html) they generated mixed.pdb or conf.gro (usr/local/gromacs/share/gromacs/tutor/mixed)

Maybe by concatenating two suitable single-solvent boxes. Or, you could start with a box of methol, increase its dimensions with a text editor, and then genbox to insert water solvent.


> using trjconv? any help is highly appreciated.  >   > 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101025/932ce5f9/attachment.html>

More information about the gromacs.org_gmx-users mailing list