[gmx-users] Help converting GROMOS ff files to GROMACS

[David]

On Wed, 2005-03-16 at 16:38 -0500, Moore, Jonathan (J) wrote:
> I have GROMOS parameter files for the GROMOS 45A4 parameter set for carbohydrates (mtb45a4_carbo.dat and ifp45a4.dat).  I want to use these parameters in GROMACS, so I need to convert them to a format compatible with GROMACS.  I've never used GROMOS or GROMACS before.
> 
> Are there any scripts, tools, guides, etc. available to help a newbie in doing this conversion?
Chapter 5 of the manual describes the gromacs files. Take care with
ångström to nanometer conversions and kcal to kjoule.
> 
> Thanks,
> Jonathan
> 
> ____________________________
> Jonathan Moore, Ph.D.
> Core R&D - Materials Science
> The Dow Chemical Company
> 1702 Building, Office 4E
> Midland, MI 48674  USA
> Phone:  (989) 636-9765 
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> E Mail: jmoore2 at dow.com
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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