[gmx-users] dihedral restraints in v3.3 different than v3.3.1 (or broken)

chris.neale at utoronto.ca chris.neale at utoronto.ca
Sun Jan 27 07:43:42 CET 2008

This is just a notice for the archives.

I was recently working on a new cluster where only gromacs 3.3 is  
installed. It took me a while to figure out that the [  
dihedral_restraints ] section is either differently implemented or  
broken in 3.3 compared to 3.3.1. Since the online list of revisions is  
not up to date past 3.2, I thought I would put a note on the mailing  

There is some discussion about versions and dihedral restraints here:

And for using dihedral restraints in 3.3.1, a description is here:

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