[gmx-users] hbonds(non covalent) contraint
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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