[gmx-users] Gromacs and DNA ???
spoel at xray.bmc.uu.se
Tue Feb 11 20:18:11 CET 2003
On Tue, 2003-02-11 at 16:27, Marc Baaden wrote:
> - how to make Gromacs "understand" my Amber system (eg conversion of
> topology, PDB file and trajectory) - in particular with respect to
> doing analysis, a "sloppy" way of conversion might be sufficient
I can give you answer at least. If you have an ascii amber trajectory,
rename it to .g87 and all gromacs tools can read it.
Furthermore, a couple of amber2gmx tools have been posted on the various
lists, and maybe even www.gromacs.org
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
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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