Hi I want to do Coarse-Grained simulation in Gromacs. I have one CG force formula, which I plan to implement by adding a short code in do_force() routine in Gromacs 4.0.7 source code.
After browsing through the do_force() code, I am now familiar with data structure relevant to add the new force. I mean, I can specify new force by adding to f[indx][XX] and so on. But I am not very sure about potential, whether do I have to explicitly specify the potential on atoms due to this force or gromacs automatically takes care of it by knowing the forces on each atoms? thanks sikandar
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