[gmx-developers] Adding a boolean mdp option

Vedran Miletić rivanvx at gmail.com
Tue Nov 10 21:10:49 CET 2015


I'm trying to add a boolean mdp option. I added the following:

* in src/gromacs/gmxpreprocess/readir.cpp:

EETYPE("my-option", ir->bMyOption, yesno_names);

*in src/gromacs/legacyheaders/types/inputrec.h in typedef struct t_inputrec

gmx_bool bMyOption;

* in src/gromacs/gmxlib/txtdump.cpp

PS("my-option", EBOOL(ir->bMyOption));

When I put my-option = yes in .mdp, and subserquently run grompp and
mdrun, ir->bMyOption is 0 in gmx::do_md(). I'm printing the value of
ir->bMyOption in while loop. Am I missing something?


Vedran Miletić

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