[gmx-users] energy minimization + freeze atoms

Nilesh Dhumal ndhumal at andrew.cmu.edu
Mon May 3 16:47:55 CEST 2010


Hello,
I am trying to do energy minimization with  normal mode analysis for my 
ststem.

I used freezegrps and freezedim optitions to freeze the atoms.

I found that after minimization the atoms are moved.

Can you tell me how to freeze atoms for energy minimzation.

I need this geometry for normal mode analysis.


Thanks

Nilesh







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