Re: [gmx-users] #define gi_2 ; tetrahedral centres

Hi On Sun, Sep 28, 2008 at 6:39 ALin, That's not really necessary, the tetrahedral geometry is kept by the angles. It only needs to be imposed in the case of a CHXYZ group with united atoms. Cheers, Tsjerk M, Chih-Ying Lin <[EMAIL PROTECTED]> wrote: > > Hi > > I found this improper dihedral a

[gmx-users] #define gi_2 ; tetrahedral centres

Hi I found this improper dihedral angle type #define gi_2 35.26439 334.84617 ; tetrahedral centres 80 for -N-(CH3)3- group and in my .top file [dihedrals] ; ai aj ak al funct N CH3CH3 CH32 gi_2 Is this right? Thank you Lin