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
--
========================================
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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