[gmx-users] Dihedral with parameters set to zero

van Bemmelen J.J.M.vanBemmelen at student.TUDelft.NL
Wed Jan 9 18:47:56 CET 2008


Hi guys,

Probably too simple for you guys, but I just need to be sure:

Am I right if I say that a GROMOS96 proper dihedral with all parameters
set to 0 (done automatically by grompp) is exactly equivalent to no
proper dihedral at all, both with respect to all the energy terms and
with respect to the dynamics? Or is there some catch I haven't thought
of?

Thanks,
Jeroen



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