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

Filip Ryjácek ryjacek at msn.com
Sat Nov 30 03:22:48 CET 2002

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 
	Filip Ryjacek

MSN 8 with e-mail virus protection service: 2 months FREE* 

More information about the gromacs.org_gmx-users mailing list