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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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