[gmx-users] gd_29 or gd_41 ?

[Justin A. Lemkul]

Yun Shi wrote:
> Hi,
> 
> For a H-NL-CH1-CH2 (H1-N-CA-C) dihedral angle in a N-terminal MET, why 
> would pdb2gmx automatically assign gd_29 ?
> 
> In /gromos53a6.ff/ffbonded.itp, it appears:
> 
> #define gd_29     0.000       3.77          3
> ; -C,CHn,SI-      0.9
> ;
> 

The comment here is incomplete.  See the 53a6 paper for a complete description.

-Justin

> ...
> 
> #define gd_41     0.000       3.77          6
> ; -CHn-NT-  0.9
> ;
> 
> ...
> 
> Thanks,
> 
> Yun Shi
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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