[gmx-users] the FF parameter sets

[Justin A. Lemkul]

Chih-Ying Lin wrote:
> Hi
> I am looking into the FF parameter sets from the FFXXXX.itp.
> 
> for example
> #define   ga_24   120      505
> ; H - N -  CH3. H, HC-6-ring, H-NT-CHn  90
> 
> 
> 
> I could not understand the last line.
> Please tell me what it means.
>

ga_XX = Gromos Angle

The sets of three atoms indicate the angles to which the parameters apply.

-Justin

> Thank you
> Lin
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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