[gmx-users] ff53b6 for GROMACS 3.3.X?

[Mitchell Stanton-Cook]

Thanks for your response Berk.

> I have never heard of GROMOS 53b6. Does it exist?
Yes it does. I have a pdf with parameters for GROMOS 53A6 and GROMOS 
53B6 (vacuo).  After attempting to locate the source it appears to be 
distributed to us (the pdf)  when someone from Zurich was visiting.  
I'll do some more chasing a let you know what I find if you are interested.

> The only "vacuum" GROMOS force field I know of is 43b1.
> I just removed 43b1 from Gromacs, since it is not at all a vacuum 
> force field.
That is good given that the pdb2gmx description is:  GROMOS96 43b1 
vacuum force field.


I also assume these scripts -

make_gromos_bon.pl
make_gromos_nb.pl and
make_gromos_rtp.pl

can be used to convert the GROMOS forcefield data file into something 
suitable for GROMACS?

Cheers

Mitch

>
>
>
>
> ------------------------------------------------------------------------
> > Date: Fri, 27 Jun 2008 10:45:15 +1000
> > From: s4026869 at student.uq.edu.au
> > To: gmx-users at gromacs.org
> > Subject: [gmx-users] ff53b6 for GROMACS 3.3.X?
> >
> > Hi,
> >
> > I'm wondering ff53b6 is available with GROMACS or if anyone has it 
> or is
> > the a script available to convert the GROMOS FF to the required setup
> > for use in GROMACS?
> >
> > I'm doing some development work in vacuum.
> >
> > Cheers
> >
> > Mitch
> > _______________________________________________
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