[gmx-users] change potential funtions

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Tue Feb 10 12:57:01 CET 2004

Dear All,

for some reasons I have to modify the proper dihedral angle potential
function and the van der Waals, electrostatic potential functions. The
modification is very simple: V_modify = kT*V_real where k the Boltzmann
constant and T temperature, V_real is the original potential and V_modify
is the one I would like to have. To make such change, could you please
tell me where is the right starting point and which is the subroutine I
need to change? Thank you very much in advance.


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