[gmx-users] dihedral-restraints?

Thomas Huber pyro at uni-bielefeld.de
Sat Jun 22 00:56:12 CEST 2002


Hallo gmx-users,

I'm modelling a small protein by involving NMR-data with Gromacs 3.1.
Calculations with distance restraints are working fine, but....
Is it possible to consider dihedral restraints for the backbone in the
md-simulation?



¯`'·.¸¸.·'´¯`·-> PYRO <-·´¯`'·.¸¸.·'´¯
GS/AT dx H s-:- !g p?(6) au+ a- w@ !v(---) C++(+) UL++ P+ L+(++) 3 E+@ N+ K- W+(---) -po+ Y+ t+@ 5- j- R+++ G+ tv--(++) b+ D+@ B? e*>+++ u**@ h! f? r--(---) !n y+




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