[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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