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

Moore, Jonathan (J) JMoore2 at dow.com
Wed Mar 16 22:38:53 CET 2005

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?


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 
Fax: (989) 636-4019
E Mail: jmoore2 at dow.com

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