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