[gmx-users] Energy of a Protein Structure

Gaurav Porwal gauravp at che.iitb.ac.in
Tue Mar 9 20:29:01 CET 2004

Dear Gromacs Users,

I need to calculate the energy of the protein structure for my work. Is
there a way I can get the energy directly without any energy minimisation.

Also, where is this energy stored? Do I need to write a perl script to
extract the value from the log file created after ndrun?

Thank you.


I can't believe that God put us on this earth to be ordinary.
						       ---- Lou Holtz

                           Gaurav Porwal
		    Senior Undergraduate Student
		  Department of Chemical Engineering
                         IIT Bombay, Powai
                          Mumbai - 400076
                          Ph. - 9820365472

Alternative Email Id's :-
porwal at iitb.ac.in
porwal82 at yahoo.com

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