[gmx-users] the FF parameter sets
chihying2008 at gmail.com
Fri Sep 12 15:57:49 CEST 2008
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
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