[gmx-users] Undocumented mdp options

Sunny ge_sunny at hotmail.com
Fri Feb 16 13:27:49 CET 2007


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


Thanks,

Sunny

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