[gmx-users] AMBER to GROMACS convertor sent to Contributions

David spoel at xray.bmc.uu.se
Sat Nov 30 12:54:06 CET 2002

On Sat, 2002-11-30 at 03:22, Filip Ryjácek wrote:
> Dear GROMACS users,
> I would like to announce new contribution to this fascinatig project: AMBER 
> to GROMACS convertor. It is standalone program writen in plain C (150kB), 
> with simple command line interface.
> Program reads AMBER vacuo topology and coordinate files and writes GROMACS 
> files: .top, .gro, .itp, nb.itp (optionally .pdb, .xyz etc.). Perturbation 
> topology files are supported.
> Energies calculated by GROMACS single-point calculations differ by less then 
> 0.01% for tested systems (smal molecules, NA bases, DNA hexamer with ligand 
> ...).
> .
Sounds cool! You forgot to say (except in the subject) that the program
can be downloaded from the GROMACS website:

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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