SD and BD integrator

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1

GROMACS version:gmx-5.0.6
GROMACS modification: Yes/No
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Which source file contains the SD and BD integrator? , I want to modify them according to my project.

2

Hi Palash,

have a look at update.cpp and do_update_bd.

I suggest you use the currrent GROMACS master branch to start developing at

Apart from the old code in the file that I just pointed you to, there is a new, yet unfinished “modular simulator framework” that aims at making changes to this type of machinery much easier - contact Pascal Merz at

for more information.