[gmx-users] phi/psi

Chris Neale chris.neale at utoronto.ca
Tue Jan 6 19:31:23 CET 2009



-- 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?
Jayant James
Jayasundar Jayant James

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