[gmx-users] Undocumented mdp options

[David van der Spoel]

Sunny wrote:
> Dear Gmx developers,
> 
> The gmx/tutor examples include some mdp options not documented in the 
> Gromacs 3.3 user manual, such as those in the following list. Are they 
> deprecated or new parameters? Can I find a full list of mdp options?
> 
> bd-temp
> nstcheckpoint
> domain-decomposition
> gb_algorithm
> nstgbradii
> rgbradii
> gb_saltconc
> implicit_solvent
> andersen_seed
> Shake-SOR
> dihre
> dihre-fc
> dihre-tau
> nstdihreout
> 
if you run the following
touch grompp.mdp
grompp
you will find a file called mdout.mdp containing all options

some of the above are unused old, some of them unused new options.

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se
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