[gmx-developers] mdp option names

Alexey Shvetsov alexxy at omrb.pnpi.spb.ru
Thu Oct 20 21:21:33 CEST 2011


Hi all!

Seems it will be good idea to have all mdp option names consistent. In 
its
current state some of them has '-' in its names like E-t while some 
other
options has '_' in their names like init_step. It will be good if all 
options
will have same naming scheme like only '_' in names or only '-' in its 
names.
Also it will simplyfy mdp file generation and parsing  by external 
software.

I prepared two patches in gerrit

https://gerrit.gromacs.org/229 <- it replaces '_' to '-' in mdp option 
names

https://gerrit.gromacs.org/229 <- it changes mdp.html and mdp_opt.html

PS currently we use such mdp file parser for gromacs grid ui in nnn 
grid

-- 
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru



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