[gmx-users] get a box of 100 molecules

[Adrien Delmont]

I just want to add missing parameters for my molecule in order to get .gro and top files for example GROMOS96 43a2 force field . How can I add missing parameters ? I didn't find any information about this procedure. I'm waiting for your help.
 
Thanks in advance


--- On Wed, 3/11/09, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:

From: Mark Abraham <Mark.Abraham at anu.edu.au>
Subject: Re: [gmx-users] get a box of 100 molecules
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Date: Wednesday, March 11, 2009, 4:58 PM

Adrien Delmont wrote:
> 
> 
> ------------------------------------------------------------------------
> *From:* Adrien Delmont <adriendelmont at yahoo.com>
> *To:* jalemkul at vt.edu
> *Sent:* Wednesday, March 11, 2009 6:09:53 PM
> *Subject:* Re: [gmx-users] get a box of 100 molecules
> 
> I didn't get gro and top files with any force field in Gromacs. I
basicly want to use oplsaa and GROMOS96 43a2 force field (improved alkane
dihedrals) . I think I should add all the parameters but  how can I add my
parametes both into oplsaa and GROMOS96 43a2 force field ?

You can't just mix force fields. See
http://wiki.gromacs.org/index.php/force_field

Mark
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