Dear GMXers,
by looking through the manual, I find that the tabluated interaction
functions seem very flexible for performing MD simulations. But some questions
puzzle me too much:
for bonded interactions, as for bonds, angles, dihedrals, the f'(x) are the
derivations of f(x) respective to x, here x can be considered as values of
bonds, angles, and dihedrals?
for non-bonded interactions, as for coulomb and LJ, the f'(x) are the
derivations of f(x) respective to x, here x can be considered as values of
distance between non-bonded atoms?
Thanks a lot for any reply to this post
Sincerely,
Chaofu Wu, Dr.
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