[gmx-users] Changing a quantity at each time step using a formula

AshutoshAkshay Shah ashah at aggies.ncat.edu
Mon Jan 25 21:05:55 CET 2016


Hello GROMACS users,

I am simulating a graphene based supercapacitor. I want to change the
charge of each particle at the electrode surface such that the voltage of
the electrochemical cell remains constant. I know the formula to be used
for this, but I have no idea how to implement it. I want to know where to
write the code (if required) and in which file.
Thanks!


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