[gmx-users] the FF parameter sets

Chih-Ying Lin chihying2008 at gmail.com
Fri Sep 12 05:30:04 CEST 2008


Hi
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.
A-B-C

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?


Thank you
Lin



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