[gmx-users] Addition of Energy Term

Gaurav Porwal gauravp at che.iitb.ac.in
Sun Mar 20 15:52:14 CET 2005


Dear Gromacs Users,

I wish to add an additional term in the energy function when the structure
is being locally minimized. It is possible to calculation the analytical
derivatives of this term.

Kindly enlighten as to how can it be done.

Regards,
Gaurav

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Luck favours those who don't believe in it.	
                                                          -- Anonymous
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                           Gaurav Porwal
		    Senior Undergraduate Student
 		  Department of Chemical Engineering
                         IIT Bombay, Powai
                          Mumbai - 400076
                              INDIA   
                          Ph. - 9869277620

Alternative Email :-
gaurav.porwal at iitbombay.org

Y! messenger id - porwal_gaurav

URL - http://homepages.iitb.ac.in/~porwal
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