[gmx-users] helix dihedral constraint

Sanku M msanku65 at yahoo.com
Mon Jun 13 18:26:07 CEST 2011


Hi,
 I wanted to run an atomistic  simulation where I would like to constrain 
helicity of a helical peptide( i.e the initial configuration is an ideal helix) 
. I was wondering whether there is a way to constrain the helix dihedral angles 
in Gromacs. Also, if there is any other option to keep the molecule helix, 
please let me know.
 I am using gromacs4.0.7
Thanks
Sanku
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