[gmx-users] energy minimization + freeze atoms

2010-05-03 Thread Nilesh Dhumal
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

[gmx-users] energy minimization + freeze atoms

2010-05-03 Thread Nilesh Dhumal
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