Re: [gmx-users] helix dihedral constraint

2011-06-13 Thread Justin A. Lemkul
Sanku M wrote: 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

[gmx-users] helix dihedral constraint

2011-06-13 Thread Sanku M
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