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 -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
