[gmx-users] dihedral type equation

tarak karmakar tarak20489 at gmail.com
Tue Aug 21 19:33:22 CEST 2012

Dear All,

I am using AMBER94 force-field for my protein. In the original force
field paper the dihedral functional form has been given as (V/2)[ 1 +
cos(nPhi - gamma)]   but in GROMACS(4.5.4) manual I see the (1/2)
factor is not there [ eq 4.62]. So is this internally handled in
GROMACS or should I worry about this half-factor ?

Can anyone inform me the functional forms for proper dihedral types
'1' , '4' and '9'. If I understand correctly the functional form which
I have mentioned earlier is of type '9'.

Thanks in advance.

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