Hello Modellers,

 

I use the follwoing example to restrain a distance .

SET ATOM_IDS 'OD2:97:' 'NZ:120:'

ADD_RESTRAINT RESTRAINT_PARAMETERS = 3  1  1  27  2  2  0  4.0  0.2

 

But I don't know how to restrain mainchain and sidechain dihedral angles. Would someone explain or post an example script?

 

Best regards,

Han

 
Han Choe, PhD
Department of Physiology
University of Ulsan, College of Medicine
Songpagoo Poongnapdong 388-1
Seoul 138-736, Korea