[gmx-users] dihedral restraints wiki section

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 29 12:16:20 CET 2008

Behnoush Zare wrote:
> Dear xavier,
> Thank you for your reply bur I want to run md simulation with regarding dihedral restraints on helices. According to the chris suggestion I should add the dihedral values of the helices backbone to the .top file. My question is about calculating of dihedral angles values. Any help would be appreciated.

If you're after canonical values for backbone dihedral angles in 
helices, then you should check out some textbook material, or survey 
some representative structures in the PDB and measure them there.


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