[gmx-users] the FF parameter sets
chihying2008 at gmail.com
Fri Sep 12 05:30:04 CEST 2008
I think that I did not described my question clearly.
#define ga_24 120 505
; H - N - CH3. H, HC-6-ring, H-NT-CHn 90
three atoms A, B, C form an angle.
what does this line mean?
H - N - CH3. H, HC-6-ring, H-NT-CHn 90
does it mean ?
=>H - N - CH3
H - N - H,
H - N - (HC-6-ring)
H - N - CHn 90
(HC-6-ring) - NT -CHn
CH3 - NT - CHn 90
I confuse with the comma "," and " - "
what does the number " 90 " mean?
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