[gmx-developers] Access .tpr information in g_template

Dennis Skjøth Bruhn dsb at sdu.dk
Mon Jul 27 15:43:46 CEST 2015


Hello everyone,

I am trying to use the template function (in Gromacs 4.6.7) to do some 
analysis.
My question is: How can I access information from the .tpr/.mdp files 
inside the template code?
More specifically I want to use the value for the electric field in the 
z-direction, which is applied in the simulations via the normal Gromacs 
settings in the .mdp file, in my analysis.

I have tried to look into the pieces of code which defines 
functions/structures from the template function, but so far I have not 
been able to find a solution.
Can anyone point me in the right direction? Any help is appreciated.

Thanks,
Dennis Bruhn


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