[gmx-users] hbonds(non covalent) contraint

Lakshmi Padmavathi lpulagam at uos.de
Fri Feb 13 13:42:01 CET 2004

Dear gromacs users,
           I have a protein which contains 12 helices. while doing simulation 
I would like to constrain or restraint the hbonds between the two turns of 
helix to constraint the alpha- helix structure.

how can i do this? to write the distance restrints, i have to write hundres of 
atoms, is there any other was to maintain the helix structure trought the 

very thankful for your suggestions.

thank you very much.



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