GROMACS modification: Yes/No
Here post your question
Which source file contains the SD and BD integrator? , I want to modify them according to my project.
have a look at
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.