[gmx-users] MInimization with frozen atoms

Georgios Patargias G.N.Patargias at leeds.ac.uk
Thu Mar 27 14:15:43 CET 2008


I'm trying to minimize a protein with the a part of it frozen.
I was wondering if it is at all possible to extract bonded energy 
terms for the non-frozen region. 

I can extract the coulombic and LJ energy terms but not the bond, 
angle and proper dih ones...

Any suggestions? 

Thanks a lot

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