[gmx-users] Gromacs and DNA ???

David 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
-- 
Groeten, David.
________________________________________________________________________
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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