[gmx-users] phi/psi

[Chris Neale]

http://wiki.gromacs.org/index.php/Dihedral_Restraints

Chris.

-- original message --

Hi !
I am using the gromos 96 force field to simulate a protein. Is there an
option that which I can turn on during a MD run that would constrain side
chain motion to within the ramachandran phi/psi values? In insight II there
is a switch that a user needs to click and it takes care of the issue. Is
there some thing like this in GMX which I can specify in the *.mdp file?
Thanks
Jayant James
-- 
Jayasundar Jayant James