[gmx-users] Energy of a Protein Structure

[Gaurav Porwal]

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.

Regards,
Gaurav

*********************************************************************
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
                              INDIA   
                          Ph. - 9820365472

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