[gmx-users] the FF parameter sets

Chih-Ying Lin chihying2008 at gmail.com
Fri Sep 12 15:57:49 CEST 2008


Hi
I read your comment.....

"This is a comment line to the previous one.
The angle is between the three atoms mentioned. it is an index in
another array in the gROMOS96  files (not part of gromacs) ."

But, I did not understand......





#define   ga_24   120      505
; H - N -  CH3. H, HC-6-ring, H-NT-CHn  90

I still confuse with the comma ","  and " - "

does it mean   ?
=>H - N -  CH3     ( the angle between H - N - CH3, right?)
  H - N - H,
  H - N - (HC-6-ring)
  H - N - CHn
(HC-6-ring) - NT -CHn
CH3 - NT - CHn


thank you
Lin



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