Hi,
I have a pair of polypeptides which are generated as ideal helix. I want to
carry out their assembly/dis-assembly simulation by maintaining the helicity of
them.
I wonder which of the methods for retaining helicity is better :
1. use a harmonic restraints using [bonds] directive using type 6 among the
backbone amide Hbond between i and i+4th residue.
2. Use dihedral restraint to maintain phi and Psi.
Any help will be appreciated.
Thanks
Sanku
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