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
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
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