Hi, All,
If there are multi-definitions of the same dihedral in topology file, how
will gromacs treat it? Using the second one, or the addition of the two
items?
The reason for my asking this is: a dihedral potential function like the
following needs to be realized ,
V = sum(Cn*cos(phi)^n), n=1, 2, 3, 4, 5, 6.
But the RB function in gromacs is limited for n up to 5.
If multi-definition is considered as addition, the potential function can
be splitted into two, one using RB function and the other using proper
dihedral funciton with n=6.
If not, can anyone recommend one solution? Thanks.
Yours Sincerely,
WU
Yanbin
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