[gmx-users] #define gi_2 ; tetrahedral centres

Chih-Ying Lin chihying2008 at gmail.com
Sun Sep 28 06:39:43 CEST 2008


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


; ai     aj     ak      al           funct

  N      CH3    CH3     CH3    2     gi_2

Is this right?

Thank you

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